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At least 127 records · Page 7
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DOE OSTI2020

Materials Data on Cs5CeCu2(NO2)12 by Materials Project

Cs5Ce(NO2)12(Cu)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four copper molecules and one Cs5Ce(NO2)12 framework. In the Cs5Ce(NO2)12 framework, there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with six equivalent CsO8 cuboctahedra and faces with two equivalent CeO12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.11 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded to eight equivalent O2- atoms to form distorted edge-sharing CsO8 cuboctahedra. There are four shorter (3.37 Å) and four longer (3.38 Å) Cs–O bond lengths. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share faces with four equivalent CsO12 cuboctahedra. All Ce–O bond lengths are 2.86 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Ce3+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5CeCu2(NO2)12 by Materials Project

K5Ce(NO2)12(Cu)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four copper molecules and one K5Ce(NO2)12 framework. In the K5Ce(NO2)12 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent KO12 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.85 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent KO12 cuboctahedra, and faces with four equivalent KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 3.11–3.31 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent KO12 cuboctahedra. All Ce–O bond lengths are 2.86 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ce3+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5YNi2(NO2)12 by Materials Project

K5Y(NO2)12(Ni)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K5Y(NO2)12 framework. In the K5Y(NO2)12 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share faces with two equivalent YO12 cuboctahedra and faces with six equivalent KO12 cuboctahedra. There are six shorter (2.76 Å) and six longer (2.85 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with two equivalent YO12 cuboctahedra, edges with four equivalent KO12 cuboctahedra, and faces with four equivalent KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 3.08–3.35 Å. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent KO12 cuboctahedra. All Y–O bond lengths are 2.77 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Y3+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5CeFe2(NO2)12 by Materials Project

K5Ce(NO2)12(Fe)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four iron molecules and one K5Ce(NO2)12 framework. In the K5Ce(NO2)12 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent KO12 cuboctahedra. There are six shorter (2.81 Å) and six longer (2.86 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent KO12 cuboctahedra, and faces with four equivalent KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 3.02–3.24 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent KO12 cuboctahedra. All Ce–O bond lengths are 2.83 Å. N+2.83+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N+2.83+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ce3+, and one N+2.83+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5CeNi2(NO2)12 by Materials Project

K5Ce(NO2)12(Ni)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K5Ce(NO2)12 framework. In the K5Ce(NO2)12 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent KO12 cuboctahedra. There are six shorter (2.79 Å) and six longer (2.86 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent KO12 cuboctahedra, and faces with four equivalent KO12 cuboctahedra. There are a spread of K–O bond distances ranging from 3.10–3.35 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent KO12 cuboctahedra. All Ce–O bond lengths are 2.85 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ce3+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs5CeNi2(NO2)12 by Materials Project

Cs5Ce(NO2)12(Ni)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four nickel molecules and one Cs5Ce(NO2)12 framework. In the Cs5Ce(NO2)12 framework, there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent CsO12 cuboctahedra. There are six shorter (3.10 Å) and six longer (3.15 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent CsO12 cuboctahedra, and faces with four equivalent CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.34–3.62 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra and faces with four equivalent CsO12 cuboctahedra. All Ce–O bond lengths are 2.97 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one N3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cs1+, one Ce3+, and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiC7(NO)12 by Materials Project

TiC5(NO2)6(CN3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of four guanidine molecules and one TiC5(NO2)6 framework. In the TiC5(NO2)6 framework, Ti4+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Ti–O bond distances ranging from 1.64–2.45 Å. There are five inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.29 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.29 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.29 Å) C–O bond length. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+0.67- atoms. There is two shorter (1.36 Å) and one longer (1.37 Å) C–N bond length. In the fifth C4+ site, C4+ is bonded in a trigonal planar geometry to three N+0.67- atoms. There is two shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. There are six inequivalent N+0.67- sites. In the first N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ atom. In the second N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ atom. In the third N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ and one O2- atom. The N–O bond length is 3.13 Å. In the fourth N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ and one O2- atom. The N–O bond length is 3.11 Å. In the fifth N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ and one O2- atom. The N–O bond length is 3.01 Å. In the sixth N+0.67- site, N+0.67- is bonded in a single-bond geometry to one C4+ and one O2- atom. The N–O bond length is 3.03 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and one O2- atom. The O–O bond length is 2.96 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Ti4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ and one O2- atom. The O–O bond length is 2.98 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted L-shaped geometry to one Ti4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C4+ and two O2- atoms. There are one shorter (2.87 Å) and one longer (2.96 Å) O–O bond lengths. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Ti4+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two N+0.67- and two O2- atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two N+0.67- and two O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on S3(NO7)2 by Materials Project

(NO2)2S3O10 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of eight hydroxylamine, n-hydroxy- molecules and four trisulfuric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaH8Rh(N2O3)4 by Materials Project

Na(NO2)6Rh(NH4)2 is Heusler structured and crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of eight ammonium molecules, four rhodium molecules, and four Na(NO2)6 clusters. In each Na(NO2)6 cluster, Na1+ is bonded in a cuboctahedral geometry to twelve equivalent O2- atoms. All Na–O bond lengths are 2.92 Å. N+1.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a single-bond geometry to one Na1+ and one N+1.50+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Br3N(O2F5)2 by Materials Project

NO2(OBrF3)2BrF4 is beta Plutonium-derived structured and crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of four hydroxylamine, n-hydroxy- molecules; four BrF4 clusters; and eight OBrF3 clusters. In two of the BrF4 clusters, Br5+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Br–F bond distances ranging from 1.83–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Br5+ atom. In two of the BrF4 clusters, Br5+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.87 Å) and two longer (2.02 Å) Br–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In each OBrF3 cluster, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.60 Å. Br5+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. There are a spread of Br–F bond distances ranging from 1.82–1.90 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(N3O4)3 by Materials Project

(Co)2(N2)3(NO2)12 crystallizes in the cubic Fm-3 space group. The structure is zero-dimensional and consists of twelve ammonia molecules, four cobalt molecules, and twenty-four nitrous acid molecules.

36 MATERIALS SCIENCE↗
NASA NTRS1977

A study for hypergolic vapor sensor development

In summary, the following tasks were completed within the scope of this work: (1) a portable Monomethylhydrazine analyzer was developed, designed, fabricated and tested. (2) A portable NO2 analyzer was developed, designed, fabricated and tested. (3) Sampling probes and accessories were designed and fabricated for this instrumentation. (4) Improvements and modifications were made to the model 7630 Ecolyzer in preparation for field testing. (5) Instrument calibration procedures and hydrazine handling techniques necessary to the successful application of this hardware were developed.

Stetter, J. R.↗
NASA NTRS1988

Particulate emissions from a mid-latitude prescribed chaparral fire

Particulate emission from a 400-acre prescribed chaparral fire in the San Dimas Experimental Forest was investigated by collecting smoke aerosol on Teflon and glass-fiber filters from a helicopter, and using SEM and EDAX to study the features of the particles. Aerosol particles ranged in size from about 0.1 to 100 microns, with carbon, oxygen, magnesium, aluminum, silicon, calcium, and iron as the primary elements. The results of ion chromatographic analysis of aerosol-particle extracts (in water-methanol) revealed the presence of significant levels of NO2(-), NO3(-), SO4(2-), Cl(-), PO4(3-), C2O4(2-), Na(+), NH4(+), and K(+). The soluble ionic portion of the aerosol was estimated to be about 2 percent by weight.

Cofer, Wesley R., III↗
DOE OSTI2020

Materials Data on CoAg(N3O4)2 by Materials Project

CoAg(NO2)4N2 crystallizes in the tetragonal P4/nnc space group. The structure is zero-dimensional and consists of four ammonia molecules, two cobalt molecules, and two Ag(NO2)4 clusters. In each Ag(NO2)4 cluster, Ag1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Ag–O bond lengths are 2.54 Å. N2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoAg(N3O4)2 by Materials Project

CoAg(NO2)4N2 crystallizes in the tetragonal P4/nnc space group. The structure is two-dimensional and consists of four ammonia molecules and two CoAg(NO2)4 sheets oriented in the (0, 0, 1) direction. In each CoAg(NO2)4 sheet, Co3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Co–O bond lengths are 2.30 Å. Ag1+ is bonded in a square co-planar geometry to four equivalent N2+ atoms. All Ag–N bond lengths are 2.30 Å. N2+ is bonded in a distorted bent 120 degrees geometry to one Ag1+ and two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a distorted L-shaped geometry to one Co3+ and one N2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoAg(N3O4)2 by Materials Project

CoAgN2(NO2)4 crystallizes in the tetragonal P4/nnc space group. The structure is one-dimensional and consists of eight nitrous acid molecules and two CoAgN2 ribbons oriented in the (0, 0, 1) direction. In each CoAgN2 ribbon, Co3+ is bonded in a linear geometry to two equivalent N2+ atoms. Both Co–N bond lengths are 1.67 Å. Ag1+ is bonded in a linear geometry to two equivalent N2+ atoms. Both Ag–N bond lengths are 2.01 Å. N2+ is bonded in a linear geometry to one Co3+ and one Ag1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3Co2(NO2)12 by Materials Project

(Ba(NO2)4)3(Co)2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of four cobalt molecules and two Ba(NO2)4 frameworks. In each Ba(NO2)4 framework, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and one N3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(N3O8)2 by Materials Project

MgO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight nitrous acid molecules, and two MgO8 clusters. In each MgO8 cluster, Mg2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.22 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom.

36 MATERIALS SCIENCE↗