Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cd(IN)4”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cd(Bi9O14)2 by Materials Project

CdCd(Bi9O14)4 is Antimony trioxide-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one cadmium molecule and one Cd(Bi9O14)4 framework. In the Cd(Bi9O14)4 framework, Cd2+ is bonded in a bent 150 degrees geometry to two O2- atoms. There are one shorter (2.68 Å) and one longer (2.75 Å) Cd–O bond lengths. There are thirty-six inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.89 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.71 Å. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.89 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.72 Å. In the fifth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.73 Å. In the sixth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.93 Å. In the seventh Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–3.03 Å. In the eighth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.85 Å. In the ninth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.85 Å. In the tenth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.10–2.68 Å. In the eleventh Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.85 Å. In the twelfth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–3.01 Å. In the thirteenth Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.16–2.40 Å. In the fourteenth Bi3+ site, Bi3+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.48 Å. In the fifteenth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.83 Å. In the sixteenth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.69 Å. In the seventeenth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.92 Å. In the eighteenth Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.40 Å. In the nineteenth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.71 Å. In the twentieth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.71 Å. In the twenty-first Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.51 Å. In the twenty-second Bi3+ site, Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.45 Å. In the twenty-third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.46 Å. In the twenty-fourth Bi3+ site, Bi3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.50 Å. In the twenty-fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.34 Å. In the twenty-sixth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.96 Å. In the twenty-seventh Bi3+ site, Bi3+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.58 Å. In the twenty-eighth Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.74 Å. In the twenty-ninth Bi3+ site, Bi3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.67 Å. In the thirtieth Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.86 Å. In the thirty-first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.96 Å. In the thirty-second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–2.78 Å. In the thirty-third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.98 Å. In the thirty-fourth Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.10–2.91 Å. In the thirty-fifth Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.74 Å. In the thirty-sixth Bi3+ site, Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Bi–O bond lengths are 2.12 Å. There are fifty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 7-coordinate geometry to five Bi3+ and two O2- atoms. There are one shorter (1.51 Å) and one longer (2.55 Å) O–O bond lengths. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.48 Å. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one O2- atom. The O–O bond length is 1.48 Å. In the twelfth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four Bi3+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi3+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the twenty-first O2- site, O2- is bonded to one Cd2+ and three Bi3+ atoms to form distorted corner-sharing OCdBi3 trigonal pyramids. In the twenty-second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the twenty-third O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ and one O2- atom. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one O2- atom. In the twenty-fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twenty-seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the twenty-eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the twenty-ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the thirtieth O2- site, O2- is bonded in a 2-coordinate geometry to three Bi3+ atoms. In the thirty-first O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the thirty-second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the thirty-sixth O2- site, O2- is bonded to four Bi3+ atoms to form distorted corner-sharing OBi4 tetrahedra. In the thirty-seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Bi3+ and one O2- atom. In the thirty-eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the thirty-ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fortieth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the forty-first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the forty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the forty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the forty-fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three Bi3+ atoms. In the forty-fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two Bi3+ atoms. In the forty-sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Bi3+ atoms. In the forty-seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the forty-eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the forty-ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fiftieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifty-first O2- site, O2- is bonded in a 3-coordinate geometry to two Bi3+ and one O2- atom. The O–O bond length is 1.49 Å. In the fifty-second O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the fifty-third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the fifty-fourth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Bi3+ and one O2- atom. In the fifty-fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the fifty-sixth O2- site, O2- is bonded in a 3-coordinate geometry to th

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4ZnCd3 by Materials Project

Li4Cd3Zn crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded to one Li and four Cd atoms to form distorted LiLiCd4 tetrahedra that share a cornercorner with one CdLi4Cd4 tetrahedra, corners with twenty-one LiLiCd4 tetrahedra, edges with three equivalent LiLi3Cd4 tetrahedra, edges with three equivalent CdLi4Cd4 tetrahedra, and faces with four LiLi4Zn3Cd7 tetrahedra. The Li–Li bond length is 2.81 Å. There are three shorter (2.90 Å) and one longer (2.96 Å) Li–Cd bond lengths. In the second Li site, Li is bonded to three equivalent Li and four Cd atoms to form distorted LiLi3Cd4 tetrahedra that share corners with four equivalent CdLi4Cd4 tetrahedra, corners with fifteen LiLiCd4 tetrahedra, edges with nine LiLiCd4 tetrahedra, faces with three equivalent CdLi4Cd4 tetrahedra, and faces with four LiLi4Zn3Cd7 tetrahedra. All Li–Li bond lengths are 2.89 Å. There are one shorter (2.79 Å) and three longer (2.83 Å) Li–Cd bond lengths. In the third Li site, Li is bonded to four Li, seven Cd, and three equivalent Zn atoms to form distorted LiLi4Zn3Cd7 tetrahedra that share corners with nine equivalent CdLi4Cd4 tetrahedra, corners with eighteen LiLiCd4 tetrahedra, a faceface with one CdLi4Cd4 tetrahedra, and faces with sixteen LiLiCd4 tetrahedra. There are a spread of Li–Cd bond distances ranging from 2.93–3.28 Å. All Li–Zn bond lengths are 2.85 Å. In the fourth Li site, Li is bonded to nine Cd and one Zn atom to form distorted LiZnCd9 tetrahedra that share corners with three equivalent CdLi4Cd4 tetrahedra, corners with eighteen LiLiCd4 tetrahedra, faces with three equivalent CdLi4Cd4 tetrahedra, and faces with sixteen LiLiCd4 tetrahedra. There are a spread of Li–Cd bond distances ranging from 2.88–3.40 Å. The Li–Zn bond length is 2.79 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded to four Li and four Cd atoms to form distorted CdLi4Cd4 tetrahedra that share corners with seventeen LiLiCd4 tetrahedra, edges with three equivalent LiLiCd4 tetrahedra, edges with six equivalent CdLi4Cd4 tetrahedra, and faces with seven LiLi3Cd4 tetrahedra. There are three shorter (2.91 Å) and one longer (2.93 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a 4-coordinate geometry to ten Li, one Cd, and three equivalent Zn atoms. All Cd–Zn bond lengths are 2.83 Å. In the third Cd site, Cd is bonded in a 4-coordinate geometry to ten Li, three equivalent Cd, and one Zn atom. All Cd–Li bond lengths are 3.28 Å. The Cd–Zn bond length is 2.78 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to ten Li, three equivalent Cd, and one Zn atom. There are a spread of Cd–Li bond distances ranging from 2.83–3.40 Å. All Cd–Cd bond lengths are 2.91 Å. The Cd–Zn bond length is 2.78 Å. Zn is bonded in a distorted body-centered cubic geometry to four Li and four Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdC2(NO)4 by Materials Project

Cd(N2)2(CO2)2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of two cadmium molecules, four carbon dioxide molecules, and four nitrogen molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdP2(HO2)4 by Materials Project

Cd(H2PO4)2 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six hydrogen molecules and six CdP2HO8 clusters. In each CdP2HO8 cluster, Cd2+ is bonded in an L-shaped geometry to two O2- atoms. There are one shorter (2.20 Å) and one longer (2.28 Å) Cd–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to five O2- atoms to form corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.54–1.73 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.59 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two O2- atoms. There is one shorter (1.46 Å) and one longer (1.48 Å) O–O bond length. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one O2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one O2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdOs2(NO2)4 by Materials Project

Cd(OsO4)2(N2)2 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four cadmium molecules, and eight OsO4 clusters. In each OsO4 cluster, Os5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Os–O bond lengths are 1.73 Å. O2- is bonded in a single-bond geometry to one Os5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdRe2(NO2)4 by Materials Project

Cd(ReO4)2(N2)2 is Iron carbide-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, four cadmium molecules, and eight rhenium;tetrahydrate molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Stabilized photoemission from organic molecules in zero-dimensional hybrid Zn and Cd halides

This work explores the utilization of a photoactive organic cation for the preparation of R 2 MCl 4 (M = Zn, Cd; R = (E)-4-styrylpyridinium, C 13 H 12 N + ). Here, the zero-dimensional crystal structures of R 2 MCl 4 contain isolated tetrahedral anions [MCl 4 ] 2– separated by the organic cations R + , leading to flat bands around the optical band gap. In R 2 MCl 4 , the inorganic band gaps are sufficiently large to accommodate the organic molecular levels within, and therefore, the optical properties of R 2 MCl 4 are determined by the organic cation. Our combined optical spectroscopy and density functional theory (DFT) studies confirm the attribution of the bright green photoluminescence demonstrated by R 2 MCl 4 to the organic molecular emission. Importantly, the incorporation of the photoemissive organic cation R + into the hybrid framework in R 2 MCl 4 leads to a nearly two-fold enhancement of the light emission efficiency with the measured photoluminescence quantum yield (PLQY) values of 6.04%, 10.40% and 11.21% for RCl, R 2 ZnCl 4 and R 2 CdCl 4 , respectively. In addition, the crystal structure of the hybrid R 2 MCl 4 ensures a stabilized PL emission, preventing the occurrence of the harmful organic photodimerization, which is a notorious problem for this class of organic emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Ba11(Cd4Bi7)2 by Materials Project

Ba11(Cd4Bi7)2 is Magnesium tetraboride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.54–4.17 Å. In the second Ba site, Ba is bonded to two equivalent Cd and six Bi atoms to form distorted BaCd2Bi6 octahedra that share corners with two equivalent BaCd4Bi6 octahedra and faces with three BaCd2Bi6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (4.06 Å) and one longer (4.10 Å) Ba–Cd bond lengths. There are a spread of Ba–Bi bond distances ranging from 3.50–3.78 Å. In the third Ba site, Ba is bonded in a 11-coordinate geometry to four Cd and seven Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.57–3.93 Å. There are a spread of Ba–Bi bond distances ranging from 3.52–4.02 Å. In the fourth Ba site, Ba is bonded in a 10-coordinate geometry to five Cd and six Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.71–4.20 Å. There are a spread of Ba–Bi bond distances ranging from 3.64–3.89 Å. In the fifth Ba site, Ba is bonded in a 7-coordinate geometry to one Cd and seven Bi atoms. The Ba–Cd bond length is 4.05 Å. There are a spread of Ba–Bi bond distances ranging from 3.68–3.86 Å. In the sixth Ba site, Ba is bonded to four Cd and six Bi atoms to form a mixture of distorted face and corner-sharing BaCd4Bi6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ba–Cd bond distances ranging from 4.10–4.13 Å. There are a spread of Ba–Bi bond distances ranging from 3.61–3.70 Å. In the seventh Ba site, Ba is bonded in a 1-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.55–4.17 Å. In the eighth Ba site, Ba is bonded in a 10-coordinate geometry to four Cd and six Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.71–3.84 Å. There are a spread of Ba–Bi bond distances ranging from 3.64–3.89 Å. In the ninth Ba site, Ba is bonded in a 11-coordinate geometry to four Cd and seven Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.57–3.93 Å. There are a spread of Ba–Bi bond distances ranging from 3.52–4.04 Å. In the tenth Ba site, Ba is bonded to six Bi atoms to form distorted BaBi6 octahedra that share corners with two equivalent BaCd4Bi6 octahedra, edges with two equivalent BaBi6 octahedra, and a faceface with one BaCd4Bi6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ba–Bi bond distances ranging from 3.49–3.77 Å. In the eleventh Ba site, Ba is bonded in a 7-coordinate geometry to one Cd and seven Bi atoms. The Ba–Cd bond length is 4.06 Å. There are a spread of Ba–Bi bond distances ranging from 3.71–3.87 Å. There are eight inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to five Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.17 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.93–3.15 Å. In the third Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.19 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.10 Å. In the fifth Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.93–3.17 Å. In the sixth Cd site, Cd is bonded in a 4-coordinate geometry to five Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.02–3.16 Å. In the seventh Cd site, Cd is bonded in a 4-coordinate geometry to five Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.03–3.16 Å. In the eighth Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.11 Å. There are fourteen inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, two Cd, and one Bi atom. The Bi–Bi bond length is 3.37 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Ba and two Cd atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Ba and two Cd atoms. In the fifth Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the sixth Bi site, Bi is bonded in a 6-coordinate geometry to five Ba and two equivalent Cd atoms. In the seventh Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the eighth Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, two Cd, and one Bi atom. In the ninth Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, one Cd, and two equivalent Bi atoms. There are one shorter (3.08 Å) and one longer (3.09 Å) Bi–Bi bond lengths. In the tenth Bi site, Bi is bonded in a 7-coordinate geometry to four Ba and three Cd atoms. In the eleventh Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, one Cd, and two equivalent Bi atoms. In the twelfth Bi site, Bi is bonded in a 6-coordinate geometry to five Ba and two equivalent Cd atoms. In the thirteenth Bi site, Bi is bonded in a 7-coordinate geometry to four Ba and three Cd atoms. In the fourteenth Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba11(Cd4Bi7)2 by Materials Project

Ba11(Cd4Bi7)2 is Magnesium tetraboride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.54–4.20 Å. In the second Ba site, Ba is bonded to six Bi atoms to form distorted BaBi6 octahedra that share corners with two equivalent BaCd4Bi6 octahedra, edges with two equivalent BaBi6 octahedra, and a faceface with one BaCd4Bi6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Ba–Bi bond distances ranging from 3.50–3.78 Å. In the third Ba site, Ba is bonded in a 11-coordinate geometry to four Cd and seven Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.57–3.92 Å. There are a spread of Ba–Bi bond distances ranging from 3.51–4.03 Å. In the fourth Ba site, Ba is bonded in a 10-coordinate geometry to four Cd and six Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.70–3.82 Å. There are a spread of Ba–Bi bond distances ranging from 3.64–3.92 Å. In the fifth Ba site, Ba is bonded in a 7-coordinate geometry to one Cd and seven Bi atoms. The Ba–Cd bond length is 4.04 Å. There are a spread of Ba–Bi bond distances ranging from 3.69–3.87 Å. In the sixth Ba site, Ba is bonded to four Cd and six Bi atoms to form distorted BaCd4Bi6 octahedra that share corners with four BaBi6 octahedra, a cornercorner with one CdBa2Bi4 tetrahedra, and faces with four BaBi6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are one shorter (4.11 Å) and three longer (4.14 Å) Ba–Cd bond lengths. There are a spread of Ba–Bi bond distances ranging from 3.62–3.70 Å. In the seventh Ba site, Ba is bonded in a 1-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.54–4.20 Å. In the eighth Ba site, Ba is bonded in a 10-coordinate geometry to four Cd and six Bi atoms. There are two shorter (3.71 Å) and two longer (3.81 Å) Ba–Cd bond lengths. There are a spread of Ba–Bi bond distances ranging from 3.63–3.93 Å. In the ninth Ba site, Ba is bonded in a 11-coordinate geometry to four Cd and seven Bi atoms. There are a spread of Ba–Cd bond distances ranging from 3.57–3.94 Å. There are a spread of Ba–Bi bond distances ranging from 3.51–4.02 Å. In the tenth Ba site, Ba is bonded to six Bi atoms to form distorted BaBi6 octahedra that share corners with two equivalent BaCd4Bi6 octahedra, a cornercorner with one CdBa2Bi4 tetrahedra, edges with two equivalent BaBi6 octahedra, and a faceface with one BaCd4Bi6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ba–Bi bond distances ranging from 3.51–3.79 Å. In the eleventh Ba site, Ba is bonded in a 7-coordinate geometry to one Cd and seven Bi atoms. The Ba–Cd bond length is 4.07 Å. There are a spread of Ba–Bi bond distances ranging from 3.72–3.85 Å. There are eight inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.19 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.92–3.17 Å. In the third Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.17 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.04–3.10 Å. In the fifth Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 2.93–3.18 Å. In the sixth Cd site, Cd is bonded in a 4-coordinate geometry to five Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.02–3.15 Å. In the seventh Cd site, Cd is bonded in a 4-coordinate geometry to five Ba and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.02–3.15 Å. In the eighth Cd site, Cd is bonded to two equivalent Ba and four Bi atoms to form distorted CdBa2Bi4 tetrahedra that share corners with two BaCd4Bi6 octahedra and edges with two equivalent CdBa2Bi4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–47°. There are a spread of Cd–Bi bond distances ranging from 3.05–3.10 Å. There are fourteen inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, two Cd, and one Bi atom. The Bi–Bi bond length is 3.36 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Ba and two Cd atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Ba and two Cd atoms. In the fifth Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the sixth Bi site, Bi is bonded in a 6-coordinate geometry to five Ba and two equivalent Cd atoms. In the seventh Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms. In the eighth Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, two Cd, and one Bi atom. In the ninth Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, one Cd, and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.09 Å. In the tenth Bi site, Bi is bonded in a 7-coordinate geometry to four Ba and three Cd atoms. In the eleventh Bi site, Bi is bonded in a 9-coordinate geometry to six Ba, one Cd, and two equivalent Bi atoms. In the twelfth Bi site, Bi is bonded in a 6-coordinate geometry to five Ba and two equivalent Cd atoms. In the thirteenth Bi site, Bi is bonded in a 7-coordinate geometry to four Ba and three Cd atoms. In the fourteenth Bi site, Bi is bonded in a 8-coordinate geometry to five Ba and three Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr21(Cd2Bi9)2 by Materials Project

Sr21(Cd2Bi9)2 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are twelve inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to one Cd and six Bi atoms. The Sr–Cd bond length is 3.61 Å. There are a spread of Sr–Bi bond distances ranging from 3.34–3.68 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.46–3.86 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to one Cd and six Bi atoms. The Sr–Cd bond length is 3.98 Å. There are a spread of Sr–Bi bond distances ranging from 3.36–4.02 Å. In the fourth Sr site, Sr is bonded in a 8-coordinate geometry to two Cd and six Bi atoms. There are one shorter (3.58 Å) and one longer (3.65 Å) Sr–Cd bond lengths. There are a spread of Sr–Bi bond distances ranging from 3.31–4.00 Å. In the fifth Sr site, Sr is bonded in a 6-coordinate geometry to one Cd and six Bi atoms. The Sr–Cd bond length is 4.01 Å. There are a spread of Sr–Bi bond distances ranging from 3.29–3.61 Å. In the sixth Sr site, Sr is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.33–3.66 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.29–4.03 Å. In the eighth Sr site, Sr is bonded to six Bi atoms to form a mixture of distorted edge and corner-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Sr–Bi bond distances ranging from 3.35–3.63 Å. In the ninth Sr site, Sr is bonded in a 5-coordinate geometry to two Cd and six Bi atoms. There are one shorter (3.61 Å) and one longer (3.86 Å) Sr–Cd bond lengths. There are a spread of Sr–Bi bond distances ranging from 3.37–3.73 Å. In the tenth Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.35–4.10 Å. In the eleventh Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Cd and seven Bi atoms. Both Sr–Cd bond lengths are 3.88 Å. There are a spread of Sr–Bi bond distances ranging from 3.54–3.89 Å. In the twelfth Sr site, Sr is bonded in a 9-coordinate geometry to two equivalent Cd and seven Bi atoms. Both Sr–Cd bond lengths are 3.59 Å. There are a spread of Sr–Bi bond distances ranging from 3.61–3.89 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to six Sr and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.01–3.17 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to two equivalent Sr, one Cd, and four Bi atoms. The Cd–Cd bond length is 2.98 Å. There are a spread of Cd–Bi bond distances ranging from 3.00–3.05 Å. In the third Cd site, Cd is bonded in a 4-coordinate geometry to four Sr, one Cd, and four Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.05–3.13 Å. There are fourteen inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven Sr and two equivalent Cd atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to five Sr, one Cd, and one Bi atom. The Bi–Bi bond length is 3.10 Å. In the fourth Bi site, Bi is bonded in a 9-coordinate geometry to eight Sr and one Cd atom. In the fifth Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the sixth Bi site, Bi is bonded in a 9-coordinate geometry to eight Sr and one Cd atom. In the seventh Bi site, Bi is bonded in a 9-coordinate geometry to eight Sr and one Cd atom. In the eighth Bi site, Bi is bonded in a 2-coordinate geometry to seven Sr and one Bi atom. The Bi–Bi bond length is 3.10 Å. In the ninth Bi site, Bi is bonded in a 8-coordinate geometry to six Sr and two Cd atoms. In the tenth Bi site, Bi is bonded in a 9-coordinate geometry to eight Sr and one Bi atom. The Bi–Bi bond length is 3.18 Å. In the eleventh Bi site, Bi is bonded in a 9-coordinate geometry to six Sr and three Cd atoms. In the twelfth Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the thirteenth Bi site, Bi is bonded in a 8-coordinate geometry to seven Sr and one Cd atom. In the fourteenth Bi site, Bi is bonded in a 9-coordinate geometry to eight Sr and one Bi atom. The Bi–Bi bond length is 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCdTe by Materials Project

CdMgTe crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to two equivalent Cd and two equivalent Te atoms. There are one shorter (2.95 Å) and one longer (3.05 Å) Mg–Cd bond lengths. There are one shorter (2.82 Å) and one longer (2.84 Å) Mg–Te bond lengths. Cd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Te atoms. There are one shorter (2.93 Å) and one longer (2.96 Å) Cd–Te bond lengths. Te is bonded to two equivalent Mg and two equivalent Cd atoms to form corner-sharing TeMg2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlling Infrared Plasmon Resonances in Inverse-Spinel Cadmium Stannate Nanocrystals via Site-Selective Cation-Exchange Reactions

Doped metal oxide nanocrystals (NCs) exhibit tunable localized surface plasmon resonances (LSPRs) in the infrared spectral region. Compared to the binary oxides commonly studied, plasmonic NCs derived from ternary oxides remain far less explored primarily due to the difficulty of controlling NC phase-purity and stoichiometry. Here, we report the synthesis of inverse spinel-type cadmium stannate (Cd 2 SnO 4 ) NCs, for which cation-exchange reactions were developed to tailor their composition and LSPR properties. X-ray absorption spectroscopy studies revealed that the inequivalent tetrahedrally and octahedrally coordinated Cd 2+ can be selectively exchanged for Cu + and In 3+ ions, respectively, enabling broadband tunable LSPR and Cu-mediated cation-exchange with lanthanide ions that are otherwise difficult to incorporate. Here, our work paves the way for systematic compositional engineering to accelerate the design of complex metal oxide NCs with emerging plasmonic, electronic, and magnetic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Ca4Cd3Au5 by Materials Project

Ca4Au5Cd3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to six Au and two equivalent Cd atoms. There are a spread of Ca–Au bond distances ranging from 3.12–3.42 Å. Both Ca–Cd bond lengths are 3.42 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to six Au and two equivalent Cd atoms. There are a spread of Ca–Au bond distances ranging from 3.09–3.60 Å. Both Ca–Cd bond lengths are 3.42 Å. In the third Ca site, Ca is bonded in a 5-coordinate geometry to seven Au and one Cd atom. There are a spread of Ca–Au bond distances ranging from 3.10–3.38 Å. The Ca–Cd bond length is 3.36 Å. In the fourth Ca site, Ca is bonded in a 7-coordinate geometry to seven Au and one Cd atom. There are a spread of Ca–Au bond distances ranging from 3.11–3.30 Å. The Ca–Cd bond length is 3.72 Å. There are five inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to five Ca, one Au, and three Cd atoms. The Au–Au bond length is 2.87 Å. There are two shorter (2.85 Å) and one longer (2.97 Å) Au–Cd bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to five Ca, one Au, and three Cd atoms. The Au–Au bond length is 3.00 Å. There are one shorter (2.86 Å) and two longer (2.87 Å) Au–Cd bond lengths. In the third Au site, Au is bonded in a 9-coordinate geometry to five Ca and four Cd atoms. There are three shorter (2.87 Å) and one longer (2.96 Å) Au–Cd bond lengths. In the fourth Au site, Au is bonded in a 7-coordinate geometry to five Ca, two equivalent Au, and two Cd atoms. Both Au–Au bond lengths are 2.89 Å. There are one shorter (2.84 Å) and one longer (2.95 Å) Au–Cd bond lengths. In the fifth Au site, Au is bonded to six Ca, four Au, and two equivalent Cd atoms to form distorted face-sharing AuCa6Cd2Au4 cuboctahedra. Both Au–Cd bond lengths are 3.22 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 4-coordinate geometry to four Au atoms. In the second Cd site, Cd is bonded in a 12-coordinate geometry to six Ca and six Au atoms. In the third Cd site, Cd is bonded in a 4-coordinate geometry to four Au atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Cordoba Durchmusterung, volume 4

The 'Cordoba Durchmusterung' (CD) is a visual survey of southern stars in the declination zones -22 to -89 deg, carried out as an extension to the 'Bonner Durchmusterung' (BD) catalogs of Argelander and Schoenfeld. This volume covers the declination range -40 deg through -49 deg. The survey was performed using techniques similar to those used for the BD; i.e., the stars were cataloged by allowing the telescope to drift along the mean declination of each zone and recording the positions and magnitudes of stars crossing the transit line of the field. The goal of the survey was to obtain a position and estimated visual magnitude for every star down to 10.0 magnitude inclusive, but the faint limit was confirmed from comparisons with other catalogs, to be somewhat below 10. The positions are given to 0.1 s in right ascension and 0.1 min in declination for the equinox 1875. The positional uncertainties quoted in the original publications are plus or minus 0.42 sec and plus or minus 0.23 min for zones -22 deg to -32 deg. A list of all corrections made to the original data as a result of published corrigenda is presented. No other corrections or changes were incorporated into the original data, e.g., from more modern positions and magnitudes or comparison with the 'Cape Photographic Durchmusterung'.

Source record↗
NASA NTRS1998

Clementine High Resolution Camera Mosaicking Project: CL 6004; 0 deg S to 80 deg S Latitude, 30 deg E to 60 deg E Longitude - Volume 4

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Malin, Michael↗
DOE OSTI2020

Materials Data on Th6Cd23 by Materials Project

Th6Cd23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Th and twelve Cd atoms. All Th–Th bond lengths are 3.87 Å. There are a spread of Th–Cd bond distances ranging from 3.36–3.63 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Th and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.33 Å. In the second Cd site, Cd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the third Cd site, Cd is bonded to four equivalent Th and eight Cd atoms to form a mixture of face and corner-sharing CdTh4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to three equivalent Th and ten Cd atoms. All Cd–Cd bond lengths are 3.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal Engineering of Two Light and Pressure Responsive Physisorbents

Abstract An emerging strategy in the design of efficient gas storage technologies is the development of stimuli‐responsive physisorbents which undergo transformations in response to a particular stimulus, such as pressure, heat or light. Herein, we report two isostructural light modulated adsorbents (LMAs) containing bis‐3‐thienylcyclopentene (BTCP), LMA‐1 [Cd(BTCP)(DPT) 2 ] (DPT=2,5‐diphenylbenzene‐1,4‐dicarboxylate) and LMA‐2 [Cd(BTCP)(FDPT) 2 ] (FDPT=5‐fluoro‐2,diphenylbenzene‐1,4‐dicarboxylate). Both LMAs undergo pressure induced switching transformations from non‐porous to porous via adsorption of N 2 , CO 2 and C 2 H 2 . LMA‐1 exhibited multi‐step adsorption while LMA‐2 showed a single‐step adsorption isotherm. The light responsive nature of the BTPC ligand in both frameworks was exploited with irradiation of LMA‐1 resulting in a 55 % maximum reduction of CO 2 uptake at 298 K. This study reports the first example of a switching sorbent (closed to open) that can be further modulated by light.

Castell, Dominic C.↗
DOE OSTI2023

Crystal Engineering of Two Light and Pressure Responsive Physisorbents

Abstract An emerging strategy in the design of efficient gas storage technologies is the development of stimuli‐responsive physisorbents which undergo transformations in response to a particular stimulus, such as pressure, heat or light. Herein, we report two isostructural light modulated adsorbents (LMAs) containing bis‐3‐thienylcyclopentene (BTCP), LMA‐1 [Cd(BTCP)(DPT) 2 ] (DPT=2,5‐diphenylbenzene‐1,4‐dicarboxylate) and LMA‐2 [Cd(BTCP)(FDPT) 2 ] (FDPT=5‐fluoro‐2,diphenylbenzene‐1,4‐dicarboxylate). Both LMAs undergo pressure induced switching transformations from non‐porous to porous via adsorption of N 2 , CO 2 and C 2 H 2 . LMA‐1 exhibited multi‐step adsorption while LMA‐2 showed a single‐step adsorption isotherm. The light responsive nature of the BTPC ligand in both frameworks was exploited with irradiation of LMA‐1 resulting in a 55 % maximum reduction of CO 2 uptake at 298 K. This study reports the first example of a switching sorbent (closed to open) that can be further modulated by light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗