cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1337304
title: Materials Data on Sn5(S2Cl)2 by Materials Project

description: Sn5(S2Cl)2 crystallizes in the orthorhombic Pma2 space group. The structure is three-dimensional. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to four S2- and one Cl1- atom to form distorted SnS4Cl square pyramids that share corners with three equivalent SnS5Cl octahedra, corners with three equivalent SnS4Cl square pyramids, edges with three equivalent SnS5Cl octahedra, and edges with two equivalent SnS4Cl square pyramids. The corner-sharing octahedra tilt angles range from 88–90°. There are a spread of Sn–S bond distances ranging from 2.66–3.05 Å. The Sn–Cl bond length is 3.17 Å. In the second Sn2+ site, Sn2+ is bonded to five S2- and one Cl1- atom to form SnS5Cl octahedra that share corners with five equivalent SnS5Cl octahedra, corners with three equivalent SnS4Cl square pyramids, edges with two equivalent SnS5Cl octahedra, and edges with three equivalent SnS4Cl square pyramids. The corner-sharing octahedra tilt angles range from 4–16°. There are a spread of Sn–S bond distances ranging from 2.65–3.14 Å. The Sn–Cl bond length is 3.18 Å. In the third Sn2+ site, Sn2+ is bonded in a 2-coordinate geometry to two equivalent S2- and two Cl1- atoms. Both Sn–S bond lengths are 3.06 Å. There are one shorter (2.53 Å) and one longer (2.62 Å) Sn–Cl bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Sn2+ atoms. In the second S2- site, S2- is bonded to six Sn2+ atoms to form a mixture of edge and corner-sharing SSn6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Sn2+ atoms.
DOI: 10.17188/1337305
title: Materials Data on Ti2Zn by Materials Project

description: Ti2Zn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing TiTi8Zn4 cuboctahedra. There are four shorter (2.82 Å) and four longer (3.01 Å) Ti–Ti bond lengths. All Ti–Zn bond lengths are 2.77 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1337306
title: Materials Data on C3N by Materials Project

description: C3N crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two C3N sheets oriented in the (0, 1, 0) direction. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two equivalent C1+ atoms. Both C–C bond lengths are 1.31 Å. In the second C1+ site, C1+ is bonded in a distorted L-shaped geometry to one C1+ and two equivalent N3- atoms. Both C–N bond lengths are 1.59 Å. N3- is bonded in a square co-planar geometry to four equivalent C1+ atoms.
DOI: 10.17188/1337307
title: Materials Data on TiZn by Materials Project

description: ZnTi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ti–Zn bond lengths are 2.73 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1337308
title: Materials Data on HfZn by Materials Project

description: HfZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Hf–Zn bond lengths are 2.86 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1337309
title: Materials Data on C3N by Materials Project

description: C3N crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one C3N ribbon oriented in the (0, 0, 1) direction. C1+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.83 Å. N3- is bonded in a 6-coordinate geometry to six equivalent C1+ atoms.
DOI: 10.17188/1337310
title: Materials Data on C3N by Materials Project

description: C3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four methane molecules and one C2N framework. In the C2N framework, C1+ is bonded to four equivalent N3- atoms to form a mixture of corner and edge-sharing CN4 tetrahedra. All C–N bond lengths are 2.07 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent C1+ atoms.
DOI: 10.17188/1337311
title: Materials Data on Cr3N2 by Materials Project

description: Cr3N2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cr–N bond lengths are 1.94 Å. In the second Cr2+ site, Cr2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CrN5 square pyramids. There are four shorter (2.03 Å) and one longer (2.06 Å) Cr–N bond lengths. N3- is bonded to six Cr2+ atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.
DOI: 10.17188/1337312
title: Materials Data on Ti3ZnN by Materials Project

description: Ti3ZnN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted L-shaped geometry to three equivalent Zn and two equivalent N atoms. There are two shorter (2.71 Å) and one longer (2.76 Å) Ti–Zn bond lengths. Both Ti–N bond lengths are 2.07 Å. In the second Ti site, Ti is bonded in a distorted bent 150 degrees geometry to two equivalent Zn and two equivalent N atoms. Both Ti–Zn bond lengths are 2.71 Å. Both Ti–N bond lengths are 2.13 Å. Zn is bonded in a 8-coordinate geometry to eight Ti atoms. N is bonded to six Ti atoms to form a mixture of corner and edge-sharing NTi6 octahedra. The corner-sharing octahedral tilt angles are 22°.
DOI: 10.17188/1337313
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Cr–N bond lengths are 2.04 Å. N3- is bonded to four equivalent Cr6+ atoms to form a mixture of corner and edge-sharing NCr4 tetrahedra.
DOI: 10.17188/1337314
title: Materials Data on IrO2 by Materials Project

description: IrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.00 Å) and two longer (2.05 Å) Ir–O bond lengths. O2- is bonded in a distorted T-shaped geometry to three equivalent Ir4+ atoms.
DOI: 10.17188/1337315
title: Materials Data on ZrB by Materials Project

description: ZrB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.46 Å. B3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedral tilt angles are 50°.
DOI: 10.17188/1337316
title: Materials Data on Hf3ZnN by Materials Project

description: Hf3ZnN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted L-shaped geometry to three equivalent Zn and two equivalent N atoms. There are two shorter (2.83 Å) and one longer (2.93 Å) Hf–Zn bond lengths. Both Hf–N bond lengths are 2.24 Å. In the second Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent Zn and two equivalent N atoms. Both Hf–Zn bond lengths are 2.81 Å. Both Hf–N bond lengths are 2.27 Å. Zn is bonded in a 9-coordinate geometry to eight Hf atoms. N is bonded to six Hf atoms to form a mixture of corner and edge-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 26°.
DOI: 10.17188/1337317
title: Materials Data on C3N by Materials Project

description: C3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. C1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All C–N bond lengths are 2.20 Å. N3- is bonded to twelve equivalent C1+ atoms to form a mixture of corner and face-sharing NC12 cuboctahedra.
DOI: 10.17188/1337318
title: Materials Data on C3N by Materials Project

description: C3N crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two ethyne molecules and two CN ribbons oriented in the (0, 0, 1) direction. In each CN ribbon, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. N3- is bonded in a linear geometry to two equivalent C1+ atoms.
DOI: 10.17188/1337319
title: Materials Data on Zr3ZnN by Materials Project

description: Zr3ZnN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted L-shaped geometry to three equivalent Zn and two equivalent N atoms. There are two shorter (2.89 Å) and one longer (3.00 Å) Zr–Zn bond lengths. Both Zr–N bond lengths are 2.27 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Zn and two equivalent N atoms. Both Zr–Zn bond lengths are 2.83 Å. Both Zr–N bond lengths are 2.31 Å. Zn is bonded in a 8-coordinate geometry to eight Zr atoms. N is bonded to six Zr atoms to form a mixture of edge and corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 27°.
DOI: 10.17188/1337320
title: Materials Data on C3N by Materials Project

description: C3N is Hg_xSn structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trimethylamine molecules. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. N3- is bonded in a distorted T-shaped geometry to three C1+ atoms.
DOI: 10.17188/1337321
title: Materials Data on Cr3N2 by Materials Project

description: Cr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Cr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 trigonal pyramids. There are a spread of Cr–N bond distances ranging from 1.94–2.00 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of distorted edge and corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°.
DOI: 10.17188/1337322
title: Materials Data on C3N by Materials Project

description: C3N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of two methane molecules and one C2N framework. In the C2N framework, there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.24 Å) and one longer (1.83 Å) C–N bond length. In the second C1+ site, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.69 Å. In the third C1+ site, C1+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.69 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent C1+ atoms. In the second N3- site, N3- is bonded to six C1+ atoms to form corner-sharing NC6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1337323
title: Materials Data on C3N by Materials Project

description: C3N crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of eight methane molecules and two CN sheets oriented in the (0, 0, 1) direction. In each CN sheet, C1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All C–N bond lengths are 1.40 Å. N3- is bonded in a trigonal planar geometry to three equivalent C1+ atoms.
DOI: 10.17188/1337324
title: Materials Data on CrN2 by Materials Project

description: CrN2 is beta Tridymite structured and crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms.
DOI: 10.17188/1337325
title: Materials Data on C3N by Materials Project

description: C3N is Potassium Silver Cyanide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule, eight methane molecules, one C4N cluster, and one C2N framework. In the C4N cluster, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.39 Å. N3- is bonded in a square co-planar geometry to four equivalent C1+ atoms. In the C2N framework, there are nine inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.24 Å) and one longer (1.81 Å) C–N bond length. In the second C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.24 Å) and one longer (1.81 Å) C–N bond length. In the third C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.56 Å) and one longer (2.15 Å) C–N bond length. In the fourth C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.56 Å) and one longer (2.15 Å) C–N bond length. In the fifth C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.56 Å) and one longer (2.15 Å) C–N bond length. In the sixth C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.69 Å) and one longer (2.02 Å) C–N bond length. In the seventh C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.69 Å) and one longer (2.02 Å) C–N bond length. In the eighth C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.69 Å) and one longer (2.02 Å) C–N bond length. In the ninth C1+ site, C1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.69 Å) and one longer (2.02 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four C1+ atoms. In the second N3- site, N3- is bonded in a square co-planar geometry to four C1+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two C1+ atoms. In the fourth N3- site, N3- is bonded in an octahedral geometry to six C1+ atoms.
DOI: 10.17188/1337326
title: Materials Data on C3N by Materials Project

description: C3N is BCT5 structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ethanamine, n-methylene- molecules. there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one C1+ atom. The C–C bond length is 1.35 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one N3- atom. The C–N bond length is 1.22 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. N3- is bonded in a bent 150 degrees geometry to two C1+ atoms.
DOI: 10.17188/1337327
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Keatite structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.71–1.76 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms.
DOI: 10.17188/1337346
title: Materials Data on CrN2 by Materials Project

description: CrN2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles are 45°. There is four shorter (1.87 Å) and two longer (1.97 Å) Cr–N bond length. N3- is bonded in a distorted T-shaped geometry to three equivalent Cr6+ atoms.
DOI: 10.17188/1337347
title: Materials Data on Cr3N4 by Materials Project

description: Cr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cr4+ is bonded to four equivalent N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.84 Å. N3- is bonded in a trigonal planar geometry to three equivalent Cr4+ atoms.
DOI: 10.17188/1337348
title: Materials Data on Cr3N4 by Materials Project

description: Cr3N4 is Corundum-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six N3- atoms to form CrN6 octahedra that share corners with four equivalent CrN6 octahedra, corners with two equivalent CrN4 tetrahedra, edges with four CrN6 octahedra, and edges with two equivalent CrN4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–55°. There are a spread of Cr–N bond distances ranging from 2.00–2.06 Å. In the second Cr4+ site, Cr4+ is bonded to six N3- atoms to form CrN6 octahedra that share corners with eight CrN6 octahedra, corners with four equivalent CrN4 tetrahedra, edges with two equivalent CrN6 octahedra, and an edgeedge with one CrN4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Cr–N bond distances ranging from 2.03–2.10 Å. In the third Cr4+ site, Cr4+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are a spread of Cr–N bond distances ranging from 1.76–1.78 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to four Cr4+ atoms to form distorted corner-sharing NCr4 trigonal pyramids. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four Cr4+ atoms. In the third N3- site, N3- is bonded in a rectangular see-saw-like geometry to four Cr4+ atoms.
DOI: 10.17188/1337349
title: Materials Data on Cr3N4 by Materials Project

description: Cr3N4 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six N3- atoms to form a mixture of corner, edge, and face-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Cr–N bond distances ranging from 1.90–2.04 Å. In the second Cr4+ site, Cr4+ is bonded to six N3- atoms to form a mixture of corner, edge, and face-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Cr–N bond distances ranging from 1.91–2.04 Å. In the third Cr4+ site, Cr4+ is bonded to six N3- atoms to form a mixture of corner, edge, and face-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Cr–N bond distances ranging from 1.90–2.04 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to four Cr4+ atoms to form NCr4 trigonal pyramids that share corners with two equivalent NCr6 pentagonal pyramids, corners with eight NCr4 trigonal pyramids, edges with three equivalent NCr6 pentagonal pyramids, and edges with two equivalent NCr4 trigonal pyramids. In the second N3- site, N3- is bonded to four Cr4+ atoms to form NCr4 trigonal pyramids that share corners with two equivalent NCr6 pentagonal pyramids, corners with eight NCr4 trigonal pyramids, edges with three equivalent NCr6 pentagonal pyramids, and edges with two equivalent NCr4 trigonal pyramids. In the third N3- site, N3- is bonded to four Cr4+ atoms to form NCr4 trigonal pyramids that share corners with two equivalent NCr6 pentagonal pyramids, corners with eight NCr4 trigonal pyramids, edges with three equivalent NCr6 pentagonal pyramids, and edges with two equivalent NCr4 trigonal pyramids. In the fourth N3- site, N3- is bonded to six Cr4+ atoms to form distorted NCr6 pentagonal pyramids that share corners with six NCr4 trigonal pyramids, edges with nine NCr4 trigonal pyramids, and faces with two equivalent NCr6 pentagonal pyramids.
DOI: 10.17188/1337350
title: Materials Data on Cr3N4 by Materials Project

description: Cr3N4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 8–63°. There are a spread of Cr–N bond distances ranging from 1.90–2.19 Å. In the second Cr4+ site, Cr4+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Cr–N bond distances ranging from 1.88–2.17 Å. In the third Cr4+ site, Cr4+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 8–63°. There are a spread of Cr–N bond distances ranging from 1.95–2.06 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to five Cr4+ atoms. In the second N3- site, N3- is bonded to five Cr4+ atoms to form distorted NCr5 square pyramids that share corners with two equivalent NCr4 tetrahedra, corners with two equivalent NCr4 trigonal pyramids, edges with four equivalent NCr5 square pyramids, and edges with three equivalent NCr4 trigonal pyramids. In the third N3- site, N3- is bonded to four Cr4+ atoms to form distorted NCr4 trigonal pyramids that share corners with two equivalent NCr5 square pyramids, corners with four equivalent NCr4 tetrahedra, corners with two equivalent NCr4 trigonal pyramids, and edges with three equivalent NCr5 square pyramids. In the fourth N3- site, N3- is bonded to four Cr4+ atoms to form distorted NCr4 tetrahedra that share corners with two equivalent NCr5 square pyramids, corners with two equivalent NCr4 tetrahedra, corners with four equivalent NCr4 trigonal pyramids, and edges with two equivalent NCr4 tetrahedra.