cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1285327
title: Materials Data on AgH6C4(NO)2 by Materials Project

description: AgC4H6(NO)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to two equivalent N3- and four O2- atoms to form AgN2O4 octahedra that share corners with six CH2N2 tetrahedra. Both Ag–N bond lengths are 2.57 Å. There are two shorter (2.53 Å) and two longer (2.59 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two equivalent N3- and four O2- atoms. Both Ag–N bond lengths are 2.49 Å. There are two shorter (2.54 Å) and two longer (2.77 Å) Ag–O bond lengths. There are five inequivalent C+0.75+ sites. In the first C+0.75+ site, C+0.75+ is bonded to two N3- and two H1+ atoms to form CH2N2 tetrahedra that share a cornercorner with one AgN2O4 octahedra and corners with four CH2N2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. Both C–N bond lengths are 1.48 Å. Both C–H bond lengths are 1.10 Å. In the second C+0.75+ site, C+0.75+ is bonded to two equivalent N3- and two equivalent H1+ atoms to form corner-sharing CH2N2 tetrahedra. Both C–N bond lengths are 1.49 Å. Both C–H bond lengths are 1.10 Å. In the third C+0.75+ site, C+0.75+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the fourth C+0.75+ site, C+0.75+ is bonded to two equivalent N3- and two equivalent H1+ atoms to form CH2N2 tetrahedra that share corners with two equivalent AgN2O4 octahedra and corners with four CH2N2 tetrahedra. The corner-sharing octahedral tilt angles are 75°. Both C–N bond lengths are 1.48 Å. Both C–H bond lengths are 1.10 Å. In the fifth C+0.75+ site, C+0.75+ is bonded to two N3- and two H1+ atoms to form CH2N2 tetrahedra that share a cornercorner with one AgN2O4 octahedra and corners with four CH2N2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. Both C–N bond lengths are 1.48 Å. Both C–H bond lengths are 1.10 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three C+0.75+ atoms. In the second N3- site, N3- is bonded to one Ag1+ and three C+0.75+ atoms to form distorted corner-sharing NAgC3 tetrahedra. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.75+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one C+0.75+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one C+0.75+ atom.
DOI: 10.17188/1285328
title: Materials Data on KBiH10C4O13 by Materials Project

description: KC4BiH6O11(H2O)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of sixteen water molecules and one KC4BiH6O11 framework. In the KC4BiH6O11 framework, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are three shorter (2.78 Å) and four longer (2.82 Å) K–O bond lengths. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.46–2.51 Å. There are three 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 0.99 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. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one C3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one C3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one K1+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms.
DOI: 10.17188/1285330
title: Materials Data on SnH8(CI)4 by Materials Project

description: SnH8(CI)4 is Protactinium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two stannane, tetrakis(iodomethyl)- molecules. Sn4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Sn–C bond lengths are 2.17 Å. C2- is bonded in a 2-coordinate geometry to one Sn4+, two H1+, and one I1- atom. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–I bond length is 2.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. I1- is bonded in a single-bond geometry to one C2- atom.
DOI: 10.17188/1285331
title: Materials Data on NiH10C4(SN4)2 by Materials Project

description: NiC4H10(N4S)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four NiC4H10(N4S)2 clusters. Ni2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There is two shorter (1.85 Å) and two longer (1.87 Å) Ni–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.31–1.37 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to two N3- and one S2- atom. There is one shorter (1.32 Å) and one longer (1.38 Å) C–N bond length. The C–S bond length is 1.72 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ni2+, one C4+, and one H1+ atom. The N–H bond length is 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to two C4+ and one H1+ atom. The N–H bond length is 1.03 Å. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ni2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.01 Å) and one longer (1.02 Å) N–H bond length. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. S2- is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1285332
title: Materials Data on HgH2C6(NCl2)2 by Materials Project

description: C3NHgHCl4HC3N crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four 2-azonia-1,3-butadiyne molecules; four methyleneaziridine molecules; and four HgHCl4 ribbons oriented in the (1, 0, 0) direction. In each HgHCl4 ribbon, Hg2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.37–3.34 Å. H1+ is bonded in a single-bond geometry to one Cl1- atom. The H–Cl bond length is 1.30 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to two equivalent Hg2+ and one H1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom.
DOI: 10.17188/1285333
title: Materials Data on CuH36C8(N5O4)2 by Materials Project

description: CuH20(C4N5)2(H2O)8 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of thirty-two water molecules and four CuH20(C4N5)2 clusters. In each CuH20(C4N5)2 cluster, Cu2+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.94 Å) and two longer (1.96 Å) Cu–N bond length. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.45 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the second C1+ site, C1+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.45 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C1+ site, C1+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.33 Å) and two longer (1.37 Å) C–N bond length. In the fourth C1+ site, C1+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.32–1.40 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two C1+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three C1+ atoms. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one C1+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the fourth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cu2+, one C1+, and one H1+ atom. The N–H bond length is 1.02 Å. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cu2+, one C1+, and one H1+ atom. The N–H bond length is 1.02 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1285334
title: Materials Data on H22IrC3(N3O4)2 by Materials Project

description: IrN6H18(CO2)3(H2O)2 crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of four azane;iridium molecules, twelve formic acid molecules, and eight water molecules.
DOI: 10.17188/1285338
title: Materials Data on CuH12C5S4N by Materials Project

description: CuCS4N(CH3)4 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and two CuCS4 clusters. In each CuCS4 cluster, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.23 Å) and one longer (2.28 Å) Cu–S bond lengths. C+0.40- is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of C–S bond distances ranging from 1.69–1.75 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one C+0.40- and one S2- atom. The S–S bond length is 2.08 Å. In the second S2- site, S2- is bonded in a single-bond geometry to one C+0.40- atom. In the third S2- site, S2- is bonded in a water-like geometry to one Cu1+ and one C+0.40- atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cu1+ and one S2- atom.
DOI: 10.17188/1285339
title: Materials Data on H12RuC4S2N2Cl2O5 by Materials Project

description: (CH3)4RuN2S2O5Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen methane molecules and four RuN2S2O5Cl2 clusters. In each RuN2S2O5Cl2 cluster, Ru2+ is bonded in a distorted octahedral geometry to two N3-, two O2-, and two Cl1- atoms. There is one shorter (1.74 Å) and one longer (2.05 Å) Ru–N bond length. There are one shorter (2.07 Å) and one longer (2.16 Å) Ru–O bond lengths. There are one shorter (2.39 Å) and one longer (2.40 Å) Ru–Cl bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Ru2+ and one O2- atom. The N–O bond length is 1.16 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ru2+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.56 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.57 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru2+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3- atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru2+ and one S2- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru2+ atom.
DOI: 10.17188/1285340
title: Materials Data on CdH9C3NCl3 by Materials Project

description: CdCl3C3NH9 crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of two trimethylamine molecules and one CdCl3 ribbon oriented in the (0, 0, 1) direction. In the CdCl3 ribbon, Cd2+ is bonded to six equivalent Cl1- atoms to form face-sharing CdCl6 octahedra. All Cd–Cl bond lengths are 2.69 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1285341
title: Materials Data on CuH4C2NCl3O by Materials Project

description: CNH2CuCH2OCl3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methanimine molecules and one CuCH2OCl3 ribbon oriented in the (1, 0, 0) direction. In the CuCH2OCl3 ribbon, Cu2+ is bonded to one O2- and five Cl1- atoms to form distorted edge-sharing CuCl5O octahedra. The Cu–O bond length is 2.76 Å. There are a spread of Cu–Cl bond distances ranging from 2.17–3.11 Å. C1+ is bonded in a trigonal planar geometry to two H1+ and one O2- atom. There is one shorter (1.11 Å) and one longer (1.12 Å) C–H bond length. The C–O bond length is 1.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. O2- is bonded in a single-bond geometry to one Cu2+ and one C1+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cu2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.
DOI: 10.17188/1285342
title: Materials Data on SnH24C6N2(OF3)2 by Materials Project

description: (C3H7NH3)2SnF6(H2O)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two tetrafluorostannane;dihydrofluoride molecules, four trimethylazanium molecules, and four water molecules.
DOI: 10.17188/1285343
title: Materials Data on K2SiAs2 by Materials Project

description: K2SiAs2 is Hazelwoodite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.44–3.58 Å. Si4+ is bonded to four equivalent As3- atoms to form distorted edge-sharing SiAs4 tetrahedra. All Si–As bond lengths are 2.41 Å. As3- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Si4+ atoms.
DOI: 10.17188/1285344
title: Materials Data on AgH12C4S5N by Materials Project

description: AgS5N(CH3)4 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two AgS5 ribbons oriented in the (0, 0, 1) direction. In each AgS5 ribbon, Ag1+ is bonded to four S2- atoms to form corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.74 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one S2- atom. The S–S bond length is 2.07 Å. In the second S2- site, S2- is bonded in a water-like geometry to one Ag1+ and one S2- atom. The S–S bond length is 2.06 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.08 Å. In the fifth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S2- atoms.
DOI: 10.17188/1285345
title: Materials Data on MnGe4H24C8(S5N)2 by Materials Project

description: Mn(Ge2S5)2(N(CH3)4)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Mn(Ge2S5)2 framework. In the Mn(Ge2S5)2 framework, Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one MnS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.27 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to one Mn2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1285346
title: Materials Data on CdH12C2(NCl2)2 by Materials Project

description: (CH3NH3)2CdCl4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of eight methylammonium molecules and two CdCl4 sheets oriented in the (0, 1, 0) direction. In each CdCl4 sheet, Cd2+ is bonded to six Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are two shorter (2.58 Å) and four longer (2.69 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1285347
title: Materials Data on MnH12C2(NCl2)2 by Materials Project

description: (CH3NH3)2MnCl4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two (CH3NH3)2MnCl4 sheets oriented in the (0, 1, 0) direction. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two shorter (2.34 Å) and four longer (2.58 Å) Mn–Cl bond lengths. C2- is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The C–N bond length is 1.49 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. N3- is bonded in a tetrahedral geometry to one C2- and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.05 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one Cl1- atom. The H–Cl bond length is 2.10 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Mn2+ and one H1+ atom.
DOI: 10.17188/1285348
title: Materials Data on ZnH6C2(NCl2)2 by Materials Project

description: CH4ZnCl3NCNHHCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, four hydrogen cyanide molecules, four methane molecules, and four ZnCl3N clusters. In each ZnCl3N cluster, Zn2+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.18–2.22 Å. N3- is bonded in a distorted L-shaped geometry to two Cl1- atoms. There are one shorter (3.21 Å) and one longer (3.27 Å) N–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ and one N3- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ and one N3- atom.
DOI: 10.17188/1285349
title: Materials Data on SbH3CS2N by Materials Project

description: CNH2SbHS2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four methylamine molecules and one SbHS2 ribbon oriented in the (1, 0, 1) direction. In the SbHS2 ribbon, there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–3.19 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–3.11 Å. There are two inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H+0.33+ atom.