cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1731803
title: Materials Data on Eu3O4 by Materials Project

description: Eu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.55–2.59 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.25–2.50 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.31–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Eu+2.67+ atoms. In the second O2- site, O2- is bonded to five Eu+2.67+ atoms to form OEu5 square pyramids that share corners with two equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, edges with four equivalent OEu5 square pyramids, an edgeedge with one OEu5 trigonal bipyramid, and edges with three equivalent OEu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form distorted OEu4 trigonal pyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, and edges with three equivalent OEu5 square pyramids. In the fourth O2- site, O2- is bonded to five Eu+2.67+ atoms to form distorted OEu5 trigonal bipyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu4 trigonal pyramids, an edgeedge with one OEu5 square pyramid, and edges with four equivalent OEu5 trigonal bipyramids.
DOI: 10.17188/1731804
title: Materials Data on Cs4V2S4O3 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: 10.17188/1731805
title: Materials Data on Mn4O7F 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: 10.17188/1731806
title: Materials Data on Ce5Rh3 by Materials Project

description: Ce5Rh3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.78–3.23 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Rh atoms. All Ce–Rh bond lengths are 3.00 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ce atoms. In the second Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Ce atoms.
DOI: 10.17188/1731807
title: Materials Data on TbGaNi by Materials Project

description: TbNiGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Ga atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–3.03 Å. There are a spread of Tb–Ga bond distances ranging from 3.02–3.16 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Tb, one Ni, and three equivalent Ga atoms. The Ni–Ni bond length is 2.52 Å. There are two shorter (2.48 Å) and one longer (2.59 Å) Ni–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Tb, three equivalent Ni, and one Ga atom. The Ga–Ga bond length is 2.79 Å.
DOI: 10.17188/1731808
title: Materials Data on Nd2ZnSb4 by Materials Project

description: Nd2ZnSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.26 Å) and four longer (3.35 Å) Nd–Sb bond lengths. Zn2+ is bonded to four equivalent Sb2- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent Zn2+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.10 Å.
DOI: 10.17188/1731810
title: Materials Data on Na2Fe(Si2O5)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: 10.17188/1731812
title: Materials Data on Li4Mn5Sn(PO4)6 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: 10.17188/1731813
title: Materials Data on Ba4CaZr5O15 by Materials Project

description: Ba4CaZr5O15 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent CaO12 cuboctahedra, corners with eight BaO12 cuboctahedra, a faceface with one CaO12 cuboctahedra, faces with five BaO12 cuboctahedra, and faces with eight ZrO6 octahedra. There are a spread of Ba–O bond distances ranging from 3.00–3.05 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, and faces with eight ZrO6 octahedra. All Ba–O bond lengths are 3.00 Å. Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share corners with four equivalent CaO12 cuboctahedra, corners with eight equivalent BaO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four equivalent CaO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. There are eight shorter (2.93 Å) and four longer (3.00 Å) Ca–O bond lengths. 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 ZrO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent CaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Zr–O bond distances ranging from 2.06–2.15 Å. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six ZrO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.12 Å) and two longer (2.13 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 ZrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zr–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to four equivalent Ca2+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two Zr4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two Zr4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Ca2+, and two equivalent Zr4+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Zr4+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Zr4+ atoms.
DOI: 10.17188/1731814
title: Materials Data on Fe3P2PbO14 by Materials Project

description: Fe3PbP2O14 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four FeO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–39°. There are a spread of Fe–O bond distances ranging from 1.85–1.97 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with two equivalent PbO6 octahedra, and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–58°. There are a spread of Fe–O bond distances ranging from 1.90–2.07 Å. In the third Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and edges with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Fe–O bond distances ranging from 1.84–2.12 Å. Pb is bonded to six O atoms to form distorted PbO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and edges with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Pb–O bond distances ranging from 2.06–2.49 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PbO6 octahedra and corners with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–71°. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to one Fe, one Pb, and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one Fe, one Pb, and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Fe atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Fe atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Fe and one Pb atom.
DOI: 10.17188/1731815
title: Materials Data on Sc3(VGe2)2 by Materials Project

description: Sc3(VGe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.61–3.00 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.63–2.82 Å. V is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of V–Ge bond distances ranging from 2.69–3.16 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent V, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Sc, four equivalent V, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four Sc, four equivalent V, and one Ge atom. The Ge–Ge bond length is 2.75 Å.
DOI: 10.17188/1731816
title: Materials Data on Na3CeCl6 by Materials Project

description: (Na)2NaCeCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaCeCl6 framework. In the NaCeCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.73 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Ce3+ atom.
DOI: 10.17188/1731817
title: Materials Data on Er2P7Rh12 by Materials Project

description: Er2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Er is bonded to six equivalent Rh and six equivalent P atoms to form distorted ErP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent ErP6Rh6 cuboctahedra. All Er–Rh bond lengths are 3.03 Å. There are three shorter (3.01 Å) and three longer (3.02 Å) Er–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to two equivalent Er and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.60 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent ErP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one ErP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Er and seven Rh atoms.
DOI: 10.17188/1731818
title: Materials Data on Mn12O7F17 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: 10.17188/1731819
title: Materials Data on Cr4CdAgSe8 by Materials Project

description: Cr4AgCdSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr+3.25+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with three equivalent AgSe4 tetrahedra, corners with three equivalent CdSe4 tetrahedra, and edges with six equivalent CrSe6 octahedra. There are three shorter (2.54 Å) and three longer (2.57 Å) Cr–Se bond lengths. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ag–Se bond lengths are 2.61 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Cd–Se bond lengths are 2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr+3.25+ and one Ag1+ atom to form distorted SeCr3Ag trigonal pyramids that share corners with nine equivalent SeCr3Cd tetrahedra, corners with three equivalent SeCr3Ag trigonal pyramids, and edges with three equivalent SeCr3Ag trigonal pyramids. In the second Se2- site, Se2- is bonded to three equivalent Cr+3.25+ and one Cd2+ atom to form distorted SeCr3Cd tetrahedra that share corners with three equivalent SeCr3Cd tetrahedra, corners with nine equivalent SeCr3Ag trigonal pyramids, and edges with three equivalent SeCr3Cd tetrahedra.
DOI: 10.17188/1731820
title: Materials Data on SiC2(NF)6 by Materials Project

description: (CN3)2SiF6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four guanidine molecules and two SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom.
DOI: 10.17188/1731821
title: Materials Data on Cr4OF11 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: 10.17188/1731823
title: Materials Data on BaN2 by Materials Project

description: BaN2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.73–3.25 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.68–3.40 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted see-saw-like geometry to four Ba2+ atoms. In the second N1- site, N1- is bonded to four Ba2+ atoms to form distorted edge-sharing NBa4 trigonal pyramids. In the third N1- site, N1- is bonded in a 4-coordinate geometry to four Ba2+ atoms. In the fourth N1- site, N1- is bonded in a 2-coordinate geometry to four Ba2+ atoms.
DOI: 10.17188/1731824
title: Materials Data on K2NaAuCl6 by Materials Project

description: K2NaAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All K–Cl bond lengths are 3.70 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.73 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.51 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Au3+ atom.
DOI: 10.17188/1731825
title: Materials Data on V2H3O5 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: 10.17188/1731826
title: Materials Data on NaVPO5 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: 10.17188/1731827
title: Materials Data on YNbO4 by Materials Project

description: YNbO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.36 Å) and four longer (2.40 Å) Y–O bond lengths. Nb5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Nb–O bond lengths are 1.90 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Nb5+ atom.
DOI: 10.17188/1731828
title: Materials Data on LiLuRh2 by Materials Project

description: LiLuRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Li–Rh bond lengths are 2.75 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Lu–Rh bond lengths are 2.75 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Lu atoms.
DOI: 10.17188/1731829
title: Materials Data on U(SiAu)2 by Materials Project

description: UAu2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.27 Å) and four longer (3.32 Å) U–Si bond lengths. There are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. In the second Au1+ site, Au1+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.41 Å) and four longer (2.51 Å) Au–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent U6+ and four equivalent Au1+ atoms to form a mixture of distorted face and edge-sharing SiU4Au4 tetrahedra. In the second Si4- site, Si4- is bonded in a 5-coordinate geometry to four equivalent U6+ and five Au1+ atoms.
DOI: 10.17188/1731830
title: Materials Data on TiCrCuS4 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: 10.17188/1731831
title: Materials Data on Mn(CuCl2)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: 10.17188/1731832
title: Materials Data on H2W2O7 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: 10.17188/1731834
title: Materials Data on SnCS(NCl)2 by Materials Project

description: SnCS(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SnCS(NCl)2 clusters. Sn4+ is bonded in a 2-coordinate geometry to one S2- and two Cl1- atoms. The Sn–S bond length is 3.07 Å. There are one shorter (2.46 Å) and one longer (2.51 Å) Sn–Cl bond lengths. C4+ is bonded in a 3-coordinate geometry to two N2- and one S2- atom. Both C–N bond lengths are 1.39 Å. The C–S bond length is 1.61 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. The N–N bond length is 1.30 Å. In the second N2- site, N2- is bonded in a 1-coordinate geometry to one C4+ and one N2- atom. S2- is bonded in a 2-coordinate geometry to one Sn4+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.