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At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Structural Investigation of Six Quinary Sulfides Synthesized via the Flux-Assisted Boron-Chalcogen Mixture (BCM) Method: Eu 2+ Containing Members of the RE 3 MTQ 7 (M and T = Transition or Main Group Metals, Q = Chalcogens) Family

For this work, a series of six quinary rare-earth sulfides Ce 4+ 1.85 Eu 2+ 1.15 Na 0.30 SiS 7 , Ce 4+ 1.91 Eu 2+ 1.09 K 0.18 SiS 7 , Ce 4+ 1.96 Eu 2+ 1.04 Rb 0.08 SiS 7 , Ce 4+ 1.98 Eu 2+ 1.02 Cs 0.05 SiS 7 , Ce 4+ 1.97 Eu 2+ 1.03 Ag 0.06 SiS 7 , and Ce 4+ 1.50 Eu 2+ 1.50 CuSiS 7 were obtained in an alkali iodide flux using the boron-chalcogen mixture (BCM) method. Single crystal X-ray diffraction was used to determine the structures of the high quality single crystals that were grown; their elemental compositions were confirmed by energy-dispersive spectroscopy (EDS). The compounds crystallize in the hexagonal crystal system in the noncentrosymmetric space group P63. The crystal structure consists of a three-dimensional network composed of mixed cerium and europium bicapped trigonal prisms, isolated SiS4 tetrahedra, and monovalent metals (Na, K, Rb, Cs, Ag, and Cu) located in cavities created by linked Ce/EuS 8 polyhedra. The structures are charge-balanced when Ce and Eu are in their +4 and +2 oxidation states, respectively. The effective magnetic moment of Ce 1.50 4+ Eu 1.50 2+ CuSiS 7 determined from the temperature dependence of the magnetic susceptibility data is consistent with the presence of Ce 4+ and Eu 2+ . Clear correlations between the alkali ion site occupancy, the ionic radius of the alkali cations, and the average bond length of Ce 4+ /Eu 2+ –S, were established. UV–vis diffuse reflectance data were collected for Ce 1.50 4+ Eu 1.50 2+ CuSiS 7 and a band gap of 1.9(1) eV was established.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Daytime cooling efficiencies of urban trees derived from land surface temperature are much higher than those for air temperature

Accurately capturing the impact of urban trees on temperature can help optimize urban heat mitigation strategies. Recently, there has been widespread use of remotely sensed land surface temperature (T s ) to quantify the cooling efficiency (CE) of urban trees. However, remotely sensed T s reflects emitted radiation from the surface of an object seen from the point of view of the thermal sensor, which is not a good proxy for the air temperature (T a ) perceived by humans. The extent to which the CEs derived from T s reflect the true experiences of urban residents is debatable. Therefore, this study systematically compared the T s -based CE (CE T s ) with the T a -based CE (CE T a ) in 392 European urban clusters. CE T s and CE T a were defined as the reductions in T s and T a , respectively, for every 1% increase in fractional tree cover (FTC). The results show that the increase in FTC has a substantial impact on reducing T s and T a in most cities during daytime. However, at night, the response of T s and T a to increased FTC appears to be much weaker and ambiguous. On average, for European cities, daytime CE T s reaches 0.075 °C % -1 , which is significantly higher (by an order of magnitude) than the corresponding CE T a of 0.006 °C % -1 . In contrast, the average nighttime CE T s and CE T a for European cities are similar, both approximating zero. Overall, urban trees can lower daytime temperatures, but the magnitude of their cooling effect is notably amplified when using remotely sensed T s estimates compared to in situ T a measurements, which is important to consider for accurately constraining public health benefits. Our findings provide critical insights into the realistic efficiencies of alleviating urban heat through tree planting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Materials Data on CeZnSn by Materials Project

CeZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Ce–Zn bond lengths are 3.08 Å. All Ce–Sn bond lengths are 3.45 Å. In the second Ce site, Ce is bonded to six equivalent Sn atoms to form distorted edge-sharing CeSn6 octahedra. All Ce–Sn bond lengths are 3.28 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Ce and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.73 Å. Sn is bonded in a 9-coordinate geometry to six Ce and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4B2N5 by Materials Project

Ce4B2N5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce+3.75+ sites. In the first Ce+3.75+ site, Ce+3.75+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing CeN6 pentagonal pyramids. There are a spread of Ce–N bond distances ranging from 2.38–2.62 Å. In the second Ce+3.75+ site, Ce+3.75+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Ce–N bond distances ranging from 2.35–2.66 Å. B is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.49 Å) and one longer (1.50 Å) B–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.75+ and one B atom. In the second N3- site, N3- is bonded to six Ce+3.75+ atoms to form edge-sharing NCe6 octahedra. In the third N3- site, N3- is bonded in a 6-coordinate geometry to five Ce+3.75+ and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeIr3 by Materials Project

CeIr3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Ce–Ir bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Ce–Ir bond distances ranging from 3.06–3.35 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ce and six equivalent Ir atoms to form IrCe6Ir6 cuboctahedra that share corners with twelve equivalent IrCe5Ir7 cuboctahedra, edges with six equivalent IrCe6Ir6 cuboctahedra, and faces with eighteen equivalent IrCe5Ir7 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.67–3.08 Å. In the third Ir site, Ir is bonded to five Ce and seven Ir atoms to form distorted IrCe5Ir7 cuboctahedra that share corners with seventeen IrCe6Ir6 cuboctahedra, edges with eight equivalent IrCe5Ir7 cuboctahedra, and faces with fourteen IrCe6Ir6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) Ir–Ir bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCo3 by Materials Project

CeCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.82 Å) and twelve longer (3.17 Å) Ce–Co bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.86–3.19 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ce and six equivalent Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve equivalent CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen equivalent CoCe5Co7 cuboctahedra. All Co–Co bond lengths are 2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.45–2.82 Å. In the third Co site, Co is bonded to five Ce and seven Co atoms to form CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight equivalent CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Zn4Ru by Materials Project

Ce2RuZn4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Zn atoms to form a mixture of face and edge-sharing CeZn12 cuboctahedra. There are a spread of Ce–Zn bond distances ranging from 3.15–3.27 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to two equivalent Ru and eight equivalent Zn atoms. Both Ce–Ru bond lengths are 2.60 Å. All Ce–Zn bond lengths are 3.03 Å. Ru is bonded in a 2-coordinate geometry to two equivalent Ce and eight equivalent Zn atoms. All Ru–Zn bond lengths are 2.85 Å. Zn is bonded in a 10-coordinate geometry to five Ce, two equivalent Ru, and three equivalent Zn atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Zn–Zn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5NiGe2 by Materials Project

Ce5NiGe2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to two equivalent Ni and three equivalent Ge atoms. There are one shorter (2.98 Å) and one longer (3.03 Å) Ce–Ni bond lengths. There are a spread of Ce–Ge bond distances ranging from 3.04–3.16 Å. In the second Ce site, Ce is bonded to four equivalent Ge atoms to form distorted edge-sharing CeGe4 tetrahedra. All Ce–Ge bond lengths are 3.05 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Ce atoms. Ge is bonded in a 8-coordinate geometry to eight Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5NiPb3 by Materials Project

Ce5NiPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Ni and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing CeNi2Pb5 pentagonal bipyramids. Both Ce–Ni bond lengths are 2.80 Å. There are a spread of Ce–Pb bond distances ranging from 3.31–3.55 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ce–Pb bond lengths are 3.36 Å. Ni is bonded to six equivalent Ce atoms to form face-sharing NiCe6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5C2Cl9 by Materials Project

Ce5C2Cl9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 6-coordinate geometry to one C3- and five Cl1- atoms. The Ce–C bond length is 2.37 Å. There are a spread of Ce–Cl bond distances ranging from 2.86–3.29 Å. In the second Ce3+ site, Ce3+ is bonded to two C3- and five Cl1- atoms to form distorted corner-sharing CeC2Cl5 pentagonal bipyramids. There are one shorter (2.43 Å) and one longer (2.50 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.94–3.13 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.45 Å) and one longer (2.49 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.93–3.49 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to two C3- and six Cl1- atoms. There are one shorter (2.45 Å) and one longer (2.51 Å) Ce–C bond lengths. There are a spread of Ce–Cl bond distances ranging from 2.90–3.37 Å. In the fifth Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to one C3- and six Cl1- atoms. The Ce–C bond length is 2.39 Å. There are a spread of Ce–Cl bond distances ranging from 2.77–3.28 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. The C–C bond length is 1.48 Å. In the second C3- site, C3- is bonded in a 5-coordinate geometry to four Ce3+ and one C3- atom. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Ce3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Ce3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Ce3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to four Ce3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Ce3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal pyramidal geometry to four Ce3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a distorted square co-planar geometry to four Ce3+ atoms. In the tenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Ce3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5O9 by Materials Project

Ce5O9 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ce+3.60+ sites. In the first Ce+3.60+ site, Ce+3.60+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.43 Å. In the second Ce+3.60+ site, Ce+3.60+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.31 Å) and four longer (2.59 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.60+ atoms to form a mixture of distorted edge and corner-sharing OCe4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Zn11 by Materials Project

Ce3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to sixteen Zn atoms to form distorted CeZn16 cuboctahedra that share corners with four equivalent ZnZn8 cuboctahedra, faces with two equivalent CeZn16 cuboctahedra, and faces with two equivalent ZnZn8 cuboctahedra. There are a spread of Ce–Zn bond distances ranging from 3.11–3.57 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to fourteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.06–3.23 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five Ce and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.48–2.79 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to four Ce and six Zn atoms. There are one shorter (2.67 Å) and two longer (2.92 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four Ce and eight Zn atoms. Both Zn–Zn bond lengths are 2.75 Å. In the fourth Zn site, Zn is bonded to eight Zn atoms to form distorted ZnZn8 cuboctahedra that share corners with four equivalent CeZn16 cuboctahedra, edges with two equivalent ZnZn8 cuboctahedra, and faces with two equivalent CeZn16 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSiPt by Materials Project

CePtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six Pt and six equivalent Si atoms to form a mixture of face and edge-sharing CeSi6Pt6 cuboctahedra. There are two shorter (3.18 Å) and four longer (3.19 Å) Ce–Pt bond lengths. There are four shorter (3.17 Å) and two longer (3.23 Å) Ce–Si bond lengths. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.41 Å) and one longer (2.44 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.41 Å) and one longer (2.44 Å) Pt–Si bond lengths. In the third Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.18 Å) and four longer (3.19 Å) Pt–Ce bond lengths. There are two shorter (2.41 Å) and one longer (2.44 Å) Pt–Si bond lengths. In the fourth Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.18 Å) and four longer (3.19 Å) Pt–Ce bond lengths. There are two shorter (2.41 Å) and one longer (2.44 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Ce and three Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4H11 by Materials Project

Ce4H11 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted body-centered cubic geometry to twelve H atoms. There are a spread of Ce–H bond distances ranging from 2.33–2.72 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to thirteen H atoms. There are a spread of Ce–H bond distances ranging from 2.36–2.73 Å. There are three inequivalent H sites. In the first H site, H is bonded to four Ce atoms to form HCe4 tetrahedra that share corners with nine HCe6 octahedra, corners with sixteen equivalent HCe4 tetrahedra, edges with six equivalent HCe4 tetrahedra, and faces with three HCe6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. In the second H site, H is bonded to six Ce atoms to form HCe6 octahedra that share corners with six equivalent HCe6 octahedra, corners with twenty-four equivalent HCe4 tetrahedra, edges with eight HCe6 octahedra, and faces with eight equivalent HCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the third H site, H is bonded to six Ce atoms to form HCe6 octahedra that share corners with four equivalent HCe6 octahedra, corners with twenty-four equivalent HCe4 tetrahedra, edges with eight equivalent HCe6 octahedra, and faces with eight equivalent HCe4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeP3O14 by Materials Project

Ce(PO4)3O2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and four Ce(PO4)3 clusters. In each Ce(PO4)3 cluster, Ce is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Ce–O bond distances ranging from 1.82–2.62 Å. There are three inequivalent P sites. In the first P site, P is bonded in a water-like geometry to two O atoms. There is one shorter (1.49 Å) and one longer (1.68 Å) P–O bond length. In the second P site, P is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.50 Å) and one longer (1.64 Å) P–O bond length. In the third P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.50–1.72 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ce and one P atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one Ce and one O atom. The O–O bond length is 1.29 Å. In the eighth O site, O is bonded in a single-bond geometry to one Ce atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two P atoms. In the tenth O site, O is bonded in a distorted single-bond geometry to one P atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the twelfth O site, O is bonded in an L-shaped geometry to one Ce and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Sn5 by Materials Project

Ce3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.14–3.58 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.26–3.51 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.24 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ce and four Sn atoms. There are two shorter (3.10 Å) and one longer (3.19 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 3-coordinate geometry to six Ce and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSn3Ru by Materials Project

CeRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Ce–Ru bond lengths are 3.48 Å. There are eight shorter (3.41 Å) and four longer (3.45 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Ce–Sn bond lengths are 3.48 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.71 Å. Sn is bonded in a 2-coordinate geometry to four Ce, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.06 Å) and two longer (3.14 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce5AgPb3 by Materials Project

Ce5AgPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ce–Pb bond lengths are 3.48 Å. In the second Ce site, Ce is bonded to two equivalent Ag and five equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing CeAg2Pb5 pentagonal bipyramids. Both Ce–Ag bond lengths are 3.21 Å. There are a spread of Ce–Pb bond distances ranging from 3.27–3.42 Å. Ag is bonded to six equivalent Ce atoms to form distorted face-sharing AgCe6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗