cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1713338
title: Materials Data on Ho2MnRuO7 by Materials Project

description: Ho2MnRuO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.46 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.20–2.48 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.97 Å) and four longer (1.98 Å) Mn–O bond length. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ru–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ru6+ atoms to form distorted OHo2Ru2 tetrahedra that share corners with six OHo2Ru2 tetrahedra and an edgeedge with one OHo4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Mn2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+, one Mn2+, and one Ru6+ atom. In the fourth O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra.
DOI: 10.17188/1713339
title: Materials Data on TlSn2I5 by Materials Project

description: TlSn2I5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are eight shorter (3.79 Å) and two longer (3.95 Å) Tl–I bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four I1- atoms. There are two shorter (3.06 Å) and two longer (3.31 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ITl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–37°. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom.
DOI: 10.17188/1713340
title: Materials Data on YZr6(PO4)9 by Materials Project

description: YZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.38 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.24 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 25–48°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is two shorter (1.52 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one Zr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom.
DOI: 10.17188/1713341
title: Materials Data on SiH12(CO)4 by Materials Project

description: Si(OCH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.91 Å. C2- is bonded to one Si4+, two H1+, and one O2- atom to form corner-sharing CSiH2O tetrahedra. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. The C–O bond length is 1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a 2-coordinate geometry to one C2- and two equivalent H1+ atoms.
DOI: 10.17188/1713342
title: Materials Data on Pm2CdGa by Materials Project

description: Pm2CdGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Ga atoms. All Pm–Cd bond lengths are 3.25 Å. All Pm–Ga bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1713344
title: Materials Data on Ho(GaFe)6 by Materials Project

description: HoFe6Ga6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded to twelve Fe and eight Ga atoms to form distorted HoGa8Fe12 hexagonal bipyramids that share corners with eight equivalent HoGa8Fe12 hexagonal bipyramids, faces with twenty-four FeHo2Ga6Fe4 cuboctahedra, and faces with two equivalent HoGa8Fe12 hexagonal bipyramids. There are four shorter (3.26 Å) and eight longer (3.29 Å) Ho–Fe bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.84–2.98 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ho, four Fe, and six Ga atoms to form distorted FeHo2Ga6Fe4 cuboctahedra that share corners with fourteen FeHo2Ga6Fe4 cuboctahedra, edges with six FeHo2Ga6Fe4 cuboctahedra, faces with ten FeHo2Ga6Fe4 cuboctahedra, and faces with four equivalent HoGa8Fe12 hexagonal bipyramids. There are two shorter (2.51 Å) and two longer (2.52 Å) Fe–Fe bond lengths. There are a spread of Fe–Ga bond distances ranging from 2.55–2.61 Å. In the second Fe site, Fe is bonded to two equivalent Ho, four equivalent Fe, and six Ga atoms to form distorted FeHo2Ga6Fe4 cuboctahedra that share corners with fourteen FeHo2Ga6Fe4 cuboctahedra, edges with seven FeHo2Ga6Fe4 cuboctahedra, faces with nine FeHo2Ga6Fe4 cuboctahedra, and faces with four equivalent HoGa8Fe12 hexagonal bipyramids. There are a spread of Fe–Ga bond distances ranging from 2.57–2.64 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, six Fe, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, six Fe, and three Ga atoms. The Ga–Ga bond length is 2.71 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. The Ga–Ho bond length is 2.84 Å. Both Ga–Fe bond lengths are 2.64 Å. The Ga–Ga bond length is 2.83 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. The Ga–Ho bond length is 2.84 Å. All Ga–Fe bond lengths are 2.61 Å. In the fifth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, six Fe, and one Ga atom. Both Ga–Fe bond lengths are 2.64 Å. The Ga–Ga bond length is 2.83 Å.
DOI: 10.17188/1713345
title: Materials Data on Sr2FeBrO3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713346
title: Materials Data on NdHCO4 by Materials Project

description: NdOHCO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.84 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one C4+ atom.
DOI: 10.17188/1713347
title: Materials Data on MgTaTi(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713348
title: Materials Data on Mg16ScAl12 by Materials Project

description: Mg16ScAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Sc, and six equivalent Al atoms. The Mg–Sc bond length is 3.18 Å. All Mg–Al bond lengths are 3.11 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.19 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Sc, and three equivalent Al atoms. There are one shorter (2.68 Å) and two longer (2.75 Å) Al–Al bond lengths.
DOI: 10.17188/1713349
title: Materials Data on Li2V3SnO8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713350
title: Materials Data on Ce4(Si3Rh)3 by Materials Project

description: Ce4(RhSi3)3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.09–3.26 Å. In the second Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.10–3.22 Å. In the third Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to fourteen Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.12–3.26 Å. In the fourth Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.19–3.22 Å. There are three inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Rh–Si bond lengths. In the second Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are four shorter (2.35 Å) and one longer (2.41 Å) Rh–Si bond lengths. In the third Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are one shorter (2.35 Å) and four longer (2.42 Å) Rh–Si bond lengths. There are nine inequivalent Si+3.11- sites. In the first Si+3.11- site, Si+3.11- is bonded in a 9-coordinate geometry to six Ce4+ and three Si+3.11- atoms. There are one shorter (2.31 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. In the fourth Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. In the fifth Si+3.11- site, Si+3.11- is bonded in a distorted bent 120 degrees geometry to four Ce4+, two equivalent Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.50 Å. In the sixth Si+3.11- site, Si+3.11- is bonded in a 4-coordinate geometry to four Ce4+ and four Rh4+ atoms. In the seventh Si+3.11- site, Si+3.11- is bonded in a distorted bent 120 degrees geometry to four Ce4+, two equivalent Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.51 Å. In the eighth Si+3.11- site, Si+3.11- is bonded in a 4-coordinate geometry to four Ce4+ and four Rh4+ atoms. In the ninth Si+3.11- site, Si+3.11- is bonded in a 9-coordinate geometry to four equivalent Ce4+ and five Si+3.11- atoms.
DOI: 10.17188/1713351
title: Materials Data on Li7Ni2P7O24 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713352
title: Materials Data on Sc2GaCo by Materials Project

description: Sc2CoGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Ga atom. The Sc–Co bond length is 2.13 Å. The Sc–Ga bond length is 2.75 Å. Co is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1713353
title: Materials Data on V3(PO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1713356
title: Materials Data on NaU(Te3O8)2 by Materials Project

description: NaU(Te3O8)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.54 Å. U5+ is bonded to eight O2- atoms to form distorted UO8 hexagonal bipyramids that share edges with six equivalent TeO5 square pyramids. There are two shorter (1.85 Å) and six longer (2.44 Å) U–O bond lengths. Te+4.33+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share corners with six equivalent TeO5 square pyramids and an edgeedge with one UO8 hexagonal bipyramid. There are a spread of Te–O bond distances ranging from 1.93–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent Te+4.33+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one U5+ and two equivalent Te+4.33+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one U5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te+4.33+ atoms.
DOI: 10.17188/1713358
title: Materials Data on Nb3Pb2(O2F)4 by Materials Project

description: Nb3Pb2(O2F)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb+4.67+ sites. In the first Nb+4.67+ site, Nb+4.67+ is bonded to five O2- and one F1- atom to form distorted corner-sharing NbO5F octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There is one shorter (1.86 Å) and four longer (2.00 Å) Nb–O bond length. The Nb–F bond length is 2.26 Å. In the second Nb+4.67+ site, Nb+4.67+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.97 Å) and two longer (2.04 Å) Nb–O bond lengths. Pb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.52 Å) and four longer (2.84 Å) Pb–F bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb+4.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb+4.67+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Nb+4.67+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Nb+4.67+ atoms. Both O–Nb bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Nb+4.67+ and four equivalent Pb3+ atoms. In the second F1- site, F1- is bonded to four equivalent Pb3+ atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra.
DOI: 10.17188/1713359
title: Materials Data on Al2PH3O7 by Materials Project

description: Al2PH3O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent PO4 tetrahedra, an edgeedge with one AlO6 octahedra, and edges with two equivalent AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.85–2.01 Å. In the second Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share corners with two equivalent PO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.78–2.08 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent AlO6 octahedra and corners with two equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Al3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one P5+ atom.
DOI: 10.17188/1713360
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven 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 1.68–1.76 Å. In the second 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 1.70–1.80 Å. In the third 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 1.70–1.79 Å. In the fourth 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 1.68–1.78 Å. In the fifth 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 1.67–1.79 Å. In the sixth 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 1.69–1.81 Å. In the seventh 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 1.67–1.82 Å. There are fourteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two 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 bent 150 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the seventh N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the eighth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the ninth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the tenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the eleventh N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the twelfth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the thirteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fourteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.