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At least 469 records · Page 26
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DOE OSTI2020

Materials Data on NpP2H9C2NO11 by Materials Project

NpC2P2H7O7NO3H2O crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of four nitric acid molecules; four water molecules; and one NpC2P2H7O7 sheet oriented in the (1, 0, 0) direction. In the NpC2P2H7O7 sheet, Np6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.80–2.29 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted tetrahedral geometry to one P5+ and three H1+ atoms. The C–P bond length is 1.79 Å. All C–H bond lengths are 1.10 Å. In the second C site, C is bonded in a distorted tetrahedral geometry to one P5+ and three H1+ atoms. The C–P bond length is 1.78 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to one C and three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to one C and three O2- atoms. There is two shorter (1.54 Å) and one longer (1.59 Å) P–O bond length. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C atom. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Np6+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np6+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Np6+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np6+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np6+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho6N8O33 by Materials Project

Ho6N4O21(NO3)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four nitric acid molecules and one Ho6N4O21 ribbon oriented in the (1, 0, 0) direction. In the Ho6N4O21 ribbon, there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Ho–O bond distances ranging from 1.90–2.37 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Ho–O bond distances ranging from 1.88–2.34 Å. In the third Ho site, Ho is bonded in a distorted single-bond geometry to three O atoms. There are a spread of Ho–O bond distances ranging from 1.63–2.64 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.18–1.43 Å. In the second N site, N is bonded in a distorted trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.28–1.80 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one N atom. In the second O site, O is bonded in a distorted linear geometry to two equivalent Ho atoms. In the third O site, O is bonded in a water-like geometry to one Ho and one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Ho atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two Ho atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two Ho atoms. In the ninth O site, O is bonded in a single-bond geometry to one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Ho atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on N2O3 by Materials Project

N2O3 is alpha Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SN8O13 by Materials Project

(N2)5(NO3)6(SO4)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten ammonia molecules, six nitric acid molecules, and two sulfuric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H16S(N3O5)2 by Materials Project

(NH4)4(NO3)2SO4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonium molecules, eight nitric acid molecules, and four sulfuric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn(NO5)2 by Materials Project

MnO4(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four mangan(iv)-hydroxyd molecules and eight nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnH6(NO3)2 by Materials Project

ZnH4H2(NO3)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hydrogen molecules, eight nitric acid molecules, and four ZnH4 clusters. In each ZnH4 cluster, Zn2+ is bonded in a square co-planar geometry to four H1+ atoms. There are a spread of Zn–H bond distances ranging from 1.54–1.58 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Zn2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Zn2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbN6(O3F)3 by Materials Project

(N2)3(NO3)6(SbF3)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of six ammonia molecules, two antimony trifluoride molecules, and six nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on N2O3 by Materials Project

N2O3 is beta Np structured and crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two ammonia molecules and two nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NO)6 by Materials Project

PtN2N2(NO3)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules, eight cis-platinum-(nh3)2 molecules, and sixteen nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AuN7O9 by Materials Project

AuN4(NO3)3 crystallizes in the orthorhombic Amm2 space group. The structure is zero-dimensional and consists of two azanide;gold molecules and six nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2N15O11 by Materials Project

(CoN2O3)2(N2)5NO3O2 crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of four ammonia molecules, two hydrogen peroxide molecules, two nitric acid molecules, eight nitrogen molecules, and four CoN2O3 clusters. In each CoN2O3 cluster, Co+2.50+ is bonded in a distorted water-like geometry to one N+1.13+ and one O2- atom. The Co–N bond length is 1.83 Å. The Co–O bond length is 1.92 Å. There are two inequivalent N+1.13+ sites. In the first N+1.13+ site, N+1.13+ is bonded in a linear geometry to one Co+2.50+ and one O2- atom. The N–O bond length is 1.16 Å. In the second N+1.13+ site, N+1.13+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.32 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.13+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.50+ and one N+1.13+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+1.13+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2NO8 by Materials Project

Fe2O5NO3 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two nitric acid molecules and one Fe2O5 sheet oriented in the (0, 1, 0) direction. In the Fe2O5 sheet, there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.87–2.01 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Fe–O bond distances ranging from 1.72–2.03 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Fe atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Fe atoms. In the fifth O site, O is bonded in a single-bond geometry to one Fe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrN5(Cl2O)3 by Materials Project

IrCl6(N2)2NO3 crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules, three nitric acid molecules, and three IrCl6 clusters. In each IrCl6 cluster, Ir3+ is bonded in an octahedral geometry to six Cl1- atoms. All Ir–Cl bond lengths are 2.30 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on N4O9 by Materials Project

N2(NO3)6 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ammonia molecules and six nitric acid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrN7ClO6 by Materials Project

IrNCl(N2)2(NO3)2 crystallizes in the tetragonal I4 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four nitric acid molecules, and two IrNCl clusters. In each IrNCl cluster, Ir4+ is bonded in a distorted single-bond geometry to one N+1.29+ and one Cl1- atom. The Ir–N bond length is 1.74 Å. The Ir–Cl bond length is 2.65 Å. N+1.29+ is bonded in a single-bond geometry to one Ir4+ atom. Cl1- is bonded in a single-bond geometry to one Ir4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(NO7)2 by Materials Project

UNO7NO3(O2)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight molecular oxygen molecules, four nitric acid molecules, and four UNO7 clusters. In each UNO7 cluster, U is bonded in a distorted rectangular see-saw-like geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.45 Å. N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted single-bond geometry to one U and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H6N4O9 by Materials Project

NH4HNO3H(NO3)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two 204575-95-1 molecules, two ammonium molecules, and two nitric acid molecules.

36 MATERIALS SCIENCE↗