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Materials Data on SbNO by Materials Project

N2(SbO)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two nitrogen molecules and two SbO ribbons oriented in the (0, 1, 0) direction. In each SbO ribbon, Sb5+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. There are one shorter (2.04 Å) and two longer (2.19 Å) Sb–O bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Sb5+ atoms.

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Materials Data on F2 by Materials Project

F2 is Cubic alpha N2-like structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four fluorine molecules. F is bonded in a single-bond geometry to one F atom. The F–F bond length is 1.43 Å.

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Materials Data on V2N4O11 by Materials Project

V2O11(N2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules and four V2O11 clusters. In each V2O11 cluster, there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.03 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.02 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.33 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.33 Å. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two V5+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.33 Å. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.33 Å. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom.

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Materials Data on H2 by Materials Project

H2 is Cubic alpha N2-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two hydrogen molecules. H is bonded in a single-bond geometry to one H atom. The H–H bond length is 0.75 Å.

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Materials Data on Sb4S3N6(OF)12 by Materials Project

(N2)3Sb4(SO4)3F12 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of eighteen ammonia molecules; two Sb4(SO4)3F12 clusters; and one Sb4(SO4)3F12 ribbon oriented in the (1, 0, 0) direction. In each Sb4(SO4)3F12 cluster, there are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to two O2- and three F1- atoms to form distorted SbO2F3 square pyramids that share corners with two SO4 tetrahedra. There are one shorter (2.33 Å) and one longer (2.48 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.90–1.93 Å. In the second Sb5+ site, Sb5+ is bonded to two O2- and three F1- atoms to form distorted SbO2F3 square pyramids that share corners with two SO4 tetrahedra. There are one shorter (2.37 Å) and one longer (2.47 Å) Sb–O bond lengths. There is one shorter (1.90 Å) and two longer (1.92 Å) Sb–F bond length. In the third Sb5+ site, Sb5+ is bonded to two O2- and three F1- atoms to form distorted SbO2F3 trigonal bipyramids that share corners with two SO4 tetrahedra. There is one shorter (1.99 Å) and one longer (2.00 Å) Sb–O bond length. There is two shorter (1.88 Å) and one longer (1.89 Å) Sb–F bond length. In the fourth Sb5+ site, Sb5+ is bonded to three O2- and three F1- atoms to form SbO3F3 octahedra that share corners with three SO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.00–2.03 Å. There is one shorter (1.90 Å) and two longer (1.91 Å) Sb–F bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SbO3F3 octahedra and corners with two SbO2F3 square pyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of S–O bond distances ranging from 1.44–1.58 Å. In the second S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SbO3F3 octahedra, a cornercorner with one SbO2F3 square pyramid, and a cornercorner with one SbO2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 37°. There are a spread of S–O bond distances ranging from 1.43–1.58 Å. In the third S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SbO3F3 octahedra, a cornercorner with one SbO2F3 square pyramid, and a cornercorner with one SbO2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 40°. There are a spread of S–O bond distances ranging from 1.42–1.59 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one S2- atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Sb5+ and one S2- atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Sb5+ and one S2- atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the Sb4(SO4)3F12 ribbon, there are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share a cornercorner with one SbO3F3 octahedra and corners with two SO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There are one shorter (2.00 Å) and one longer (2.02 Å) Sb–O bond lengths. There are three shorter (1.88 Å) and one longer (2.20 Å) Sb–F bond lengths. In the second Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share a cornercorner with one SbO3F3 octahedra and corners with two SO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There are one shorter (2.00 Å) and one longer (2.01 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.88–2.18 Å. In the third Sb5+ site, Sb5+ is bonded to two O2- and four F1- atoms to form SbO2F4 octahedra that share a cornercorner with one SbO3F3 octahedra and corners with two SO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. Both Sb–O bond lengths are 2.01 Å. There are a spread of Sb–F bond distances ranging from 1.88–2.20 Å. In the fourth Sb5+ site, Sb5+ is bonded to three O2- and three F1- atoms to form distorted SbO3F3 octahedra that share corners with three SbO2F4 octahedra and corners with three SO4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Sb–O bond distances ranging from 2.56–2.67 Å. There are two shorter (2.10 Å) and one longer (2.12 Å) Sb–F bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of S–O bond distances ranging from 1.43–1.57 Å. In the second S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 39–42°. There are a spread of S–O bond distances ranging from 1.43–1.56 Å. In the third S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of S–O bond distances ranging from 1.42–1.57 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one S2- atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S2- atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S2- atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb5+ and one S2- atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one S2- atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one S2- atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one S2- atom. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a distorted linear geometry to two Sb5+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb5+ atoms. In the twelfth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sb5+ atoms.

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Materials Data on Cl2 by Materials Project

Cl2 is Cubic alpha N2-like structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four molecular chlorine molecules. Cl is bonded in a single-bond geometry to one Cl atom. The Cl–Cl bond length is 2.01 Å.

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Materials Data on O2 by Materials Project

O2 is Cubic alpha N2-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hydrogen peroxide molecules. O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å.

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Materials Data on H9C3SeN3 by Materials Project

(C3H9Se)2(N2)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight triazane molecules and eight C3H9Se clusters. In each C3H9Se cluster, there are three inequivalent C+0.67+ sites. In the first C+0.67+ site, C+0.67+ is bonded in a trigonal non-coplanar geometry to three H1+ and one Se2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Se bond length is 1.96 Å. In the second C+0.67+ site, C+0.67+ is bonded in a trigonal non-coplanar geometry to three H1+ and one Se2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Se bond length is 1.95 Å. In the third C+0.67+ site, C+0.67+ is bonded in a trigonal non-coplanar geometry to three H1+ and one Se2- atom. All C–H bond lengths are 1.10 Å. The C–Se bond length is 1.96 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.67+ atom. Se2- is bonded in a 6-coordinate geometry to three C+0.67+ atoms.

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Materials Data on Co2N16O9 by Materials Project

Co2N5(N2)4(NO3)3 crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of four ammonia molecules, six nitric acid molecules, four triazane molecules, and two Co2N5 clusters. In each Co2N5 cluster, Co2+ is bonded in a trigonal planar geometry to three N+0.88+ atoms. There is two shorter (1.59 Å) and one longer (1.67 Å) Co–N bond length. There are two inequivalent N+0.88+ sites. In the first N+0.88+ site, N+0.88+ is bonded in a bent 150 degrees geometry to two equivalent Co2+ atoms. In the second N+0.88+ site, N+0.88+ is bonded in a single-bond geometry to one Co2+ atom.

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Materials Data on Mo(NCl2)3 by Materials Project

(MoCl6)2(N2)3 crystallizes in the tetragonal P4_2/m space group. The structure is zero-dimensional and consists of six ammonia molecules and two hexachloromolybdenum molecules.

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Materials Data on Li(NO)6 by Materials Project

LiO2(N2)2(NO2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two lithium hydroxide monohydrate molecules, four nitrogen molecules, and four nitrous acid molecules.

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Materials Data on VZn2P4N3O16 by Materials Project

(VZn2(PO4)4)2(N2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twelve ammonia molecules and one VZn2(PO4)4 framework. In the VZn2(PO4)4 framework, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.86–1.93 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There is two shorter (1.95 Å) and two longer (1.96 Å) Zn–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra and corners with three equivalent ZnO4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There is three shorter (1.54 Å) and one longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra and a cornercorner with one ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom.

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Materials Data on NaCo(N2O3)4 by Materials Project

Na(Na(NO3)4)3(Co)4(N2)5(N5O6)2 crystallizes in the cubic P23 space group. The structure is zero-dimensional and consists of ten ammonia molecules, four cobalt molecules, one sodium molecule, one N5O6 cluster, and three Na(NO3)4 clusters. In the N5O6 cluster, there are two inequivalent N+2.50+ sites. In the first N+2.50+ site, N+2.50+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.11 Å. In the second N+2.50+ site, N+2.50+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two N+2.50+ atoms. In each Na(NO3)4 cluster, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.68 Å) and four longer (2.72 Å) Na–O bond lengths. There are two inequivalent N+2.50+ sites. In the first N+2.50+ site, N+2.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.24 Å. In the second N+2.50+ site, N+2.50+ is bonded in a water-like geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.37 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one N+2.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one N+2.50+, and one O2- atom. The O–O bond length is 1.32 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one O2- atom.

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Materials Data on Y(NCl2)3 by Materials Project

(YCl6)2(N2)3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and four YCl6 clusters. In each YCl6 cluster, Y3+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Y–Cl bond lengths are 2.62 Å. Cl1- is bonded in a single-bond geometry to one Y3+ atom.

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Materials Data on IrRu2(NCl)10 by Materials Project

IrCl6(RuN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four nitrogen molecules, two IrCl6 clusters, and four RuN3Cl2 clusters. In each IrCl6 cluster, Ir5+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.29 Å) and two longer (2.33 Å) Ir–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In each RuN3Cl2 cluster, Ru+5.50+ is bonded in a tetrahedral geometry to three N+0.60- and one Cl1- atom. There is two shorter (1.70 Å) and one longer (1.90 Å) Ru–N bond length. The Ru–Cl bond length is 2.26 Å. There are two inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ru+5.50+ atom. In the second N+0.60- site, N+0.60- is bonded in a distorted bent 150 degrees geometry to one Ru+5.50+ and one Cl1- atom. The N–Cl bond length is 1.60 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru+5.50+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom.

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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.

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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.

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Materials Data on GeN2F5 by Materials Project

N2(GeNF5)2 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of two ammonia molecules and two GeNF5 sheets oriented in the (0, 0, 1) direction. In each GeNF5 sheet, Ge3+ is bonded in a distorted trigonal bipyramidal geometry to five F1- atoms. There is one shorter (1.74 Å) and four longer (1.80 Å) Ge–F bond length. N1+ is bonded in a rectangular see-saw-like geometry to four equivalent F1- atoms. All N–F bond lengths are 2.21 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ge3+ and one N1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge3+ atom.

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