cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1200185
title: Materials Data on Rb4Mg3H10 by Materials Project

description: Rb4Mg3H10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Rb–H bond distances ranging from 2.88–3.09 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to seven H1- atoms. There are a spread of Rb–H bond distances ranging from 2.97–3.11 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six H1- atoms to form face-sharing MgH6 octahedra. There is four shorter (1.98 Å) and two longer (1.99 Å) Mg–H bond length. In the second Mg2+ site, Mg2+ is bonded to six H1- atoms to form a mixture of face and corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Mg–H bond distances ranging from 1.90–2.13 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded to four Rb1+ and two Mg2+ atoms to form a mixture of distorted edge and corner-sharing HRb4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second H1- site, H1- is bonded in a distorted linear geometry to two equivalent Rb1+ and two equivalent Mg2+ atoms. In the third H1- site, H1- is bonded in a 2-coordinate geometry to four Rb1+ and two Mg2+ atoms. In the fourth H1- site, H1- is bonded in a distorted single-bond geometry to three Rb1+ and one Mg2+ atom.
DOI: 10.17188/1200186
title: Materials Data on ZnH8C2N4(ClO)2 by Materials Project

description: ZnC2N4H8(OCl)2 is beta-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ZnC2N4H8(OCl)2 clusters. Zn2+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. There are one shorter (1.98 Å) and one longer (2.03 Å) Zn–O bond lengths. There are one shorter (2.24 Å) and one longer (2.26 Å) Zn–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–O bond length is 1.28 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.35 Å) C–N bond length. The C–O bond length is 1.29 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are eight 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. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ 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 Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.
DOI: 10.17188/1200187
title: Materials Data on CsHF2 by Materials Project

description: CsHF2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Cs–F bond lengths are 3.15 Å. H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.15 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one H1+ atom.
DOI: 10.17188/1200188
title: Materials Data on CrH by Materials Project

description: CrH is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr is bonded to four equivalent H atoms to form corner-sharing CrH4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.69 Å) Cr–H bond length. H is bonded to four equivalent Cr atoms to form corner-sharing HCr4 tetrahedra.
DOI: 10.17188/1200189
title: Materials Data on Zr6Al2CoH10 by Materials Project

description: Zr6CoAl2H10 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to two equivalent Al and seven H atoms. Both Zr–Al bond lengths are 3.06 Å. There are a spread of Zr–H bond distances ranging from 2.09–2.20 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to four equivalent Al and five H atoms. There are two shorter (3.06 Å) and two longer (3.15 Å) Zr–Al bond lengths. There are a spread of Zr–H bond distances ranging from 2.06–2.14 Å. Co is bonded to five H atoms to form corner-sharing CoH5 trigonal bipyramids. There is three shorter (1.65 Å) and two longer (1.78 Å) Co–H bond length. Al is bonded in a 10-coordinate geometry to nine Zr and one Al atom. The Al–Al bond length is 2.82 Å. There are four inequivalent H sites. In the first H site, H is bonded to three Zr and one Co atom to form distorted HZr3Co tetrahedra that share corners with ten HZr3Co tetrahedra, edges with three HZr4 tetrahedra, and edges with two equivalent HZr3Co2 trigonal bipyramids. In the second H site, H is bonded to three equivalent Zr and two equivalent Co atoms to form HZr3Co2 trigonal bipyramids that share corners with six equivalent HZr4 tetrahedra, corners with two equivalent HZr3Co2 trigonal bipyramids, and edges with nine HZr3Co tetrahedra. In the third H site, H is bonded to four Zr atoms to form HZr4 tetrahedra that share corners with ten HZr3Co tetrahedra, edges with four HZr3Co tetrahedra, and an edgeedge with one HZr3Co2 trigonal bipyramid. In the fourth H site, H is bonded to four Zr atoms to form HZr4 tetrahedra that share corners with twelve HZr3Co tetrahedra, corners with two equivalent HZr3Co2 trigonal bipyramids, and edges with three HZr3Co tetrahedra.
DOI: 10.17188/1200190
title: Materials Data on Zr6Ni(SnH5)2 by Materials Project

description: Zr6Ni(SnH5)2 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to four equivalent Sn and five H atoms. There are two shorter (3.07 Å) and two longer (3.23 Å) Zr–Sn bond lengths. There are a spread of Zr–H bond distances ranging from 2.10–2.15 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to two equivalent Sn and seven H atoms. Both Zr–Sn bond lengths are 3.09 Å. There are a spread of Zr–H bond distances ranging from 2.11–2.17 Å. Ni is bonded to five H atoms to form corner-sharing NiH5 trigonal bipyramids. There is three shorter (1.69 Å) and two longer (1.84 Å) Ni–H bond length. Sn is bonded in a 10-coordinate geometry to nine Zr and one Sn atom. The Sn–Sn bond length is 3.09 Å. There are four inequivalent H sites. In the first H site, H is bonded to three Zr and one Ni atom to form HZr3Ni tetrahedra that share corners with ten HZr3Ni tetrahedra, edges with three HZr4 tetrahedra, and edges with two equivalent HZr3Ni2 trigonal bipyramids. In the second H site, H is bonded to three equivalent Zr and two equivalent Ni atoms to form HZr3Ni2 trigonal bipyramids that share corners with six equivalent HZr4 tetrahedra, corners with two equivalent HZr3Ni2 trigonal bipyramids, and edges with nine HZr3Ni tetrahedra. In the third H site, H is bonded to four Zr atoms to form HZr4 tetrahedra that share corners with ten HZr3Ni tetrahedra, edges with four HZr3Ni tetrahedra, and an edgeedge with one HZr3Ni2 trigonal bipyramid. In the fourth H site, H is bonded to four Zr atoms to form HZr4 tetrahedra that share corners with twelve HZr3Ni tetrahedra, corners with two equivalent HZr3Ni2 trigonal bipyramids, and edges with three HZr3Ni tetrahedra.
DOI: 10.17188/1200191
title: Materials Data on Be3P2(H2O5)2 by Materials Project

description: Be3P2(H2O5)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two equivalent BeO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.59–1.68 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two equivalent PO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.67 Å) Be–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five BeO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. 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 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+ and one P5+ atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Be2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Be2+ and one P5+ atom.
DOI: 10.17188/1200192
title: Materials Data on ErHg by Materials Project

description: ErHg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Er–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1200193
title: Materials Data on RbH18RuN6(ClO2)4 by Materials Project

description: Rb(O2Cl)4Ru(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Ru(NH3)6 clusters and three Rb(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Ru(NH3)6 cluster, Ru5+ is bonded in an octahedral geometry to six equivalent N+0.67- atoms. All Ru–N bond lengths are 2.13 Å. N+0.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In each Rb(O2Cl)4 sheet, Rb1+ is bonded in a body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All Rb–O bond lengths are 3.03 Å. Both Rb–Cl bond lengths are 3.53 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Rb1+ atom.
DOI: 10.17188/1200194
title: Materials Data on RbZn2P2HO8 by Materials Project

description: RbZn2P2HO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.13 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.04 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO4 tetrahedra and corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–1.99 Å. 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 three ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Zn2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Zn2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Zn2+, and one P5+ atom.
DOI: 10.17188/1200195
title: Materials Data on CdS by Materials Project

description: CdS is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form corner-sharing CdS4 tetrahedra. All Cd–S bond lengths are 2.57 Å. S2- is bonded to four equivalent Cd2+ atoms to form corner-sharing SCd4 tetrahedra.
DOI: 10.17188/1200196
title: Materials Data on Zn(H2N)2 by Materials Project

description: Zn(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Zn(NH2)2 frameworks. Zn2+ is bonded to four N3- atoms to form corner-sharing ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.08 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Zn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. There are four 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.
DOI: 10.17188/1200197
title: Materials Data on MgSb2(H4O3)6 by Materials Project

description: Mg(H2O)6(Sb(HO)6)2 crystallizes in the trigonal P3 space group. The structure is zero-dimensional and consists of six magnesium;hexahydrate molecules and twelve Sb(HO)6 clusters. In each Sb(HO)6 cluster, Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.00 Å) and three longer (2.02 Å) Sb–O bond lengths. 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom.
DOI: 10.17188/1200198
title: Materials Data on DyS by Materials Project

description: DyS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–S bond lengths are 2.76 Å. S is bonded to six equivalent Dy atoms to form a mixture of edge and corner-sharing SDy6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200200
title: Materials Data on ZnH8SO8 by Materials Project

description: ZnH8SO8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZnH8SO8 clusters. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.09–2.17 Å. There are eight 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. In the fourth 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 fifth 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 sixth 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 seventh 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 eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms.
DOI: 10.17188/1200201
title: Materials Data on PH5NO3F by Materials Project

description: NH4PHO3F crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonium molecules and one PHO3F cluster. In the PHO3F cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.51 Å) and one longer (1.57 Å) P–O bond length. The P–F bond length is 1.61 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.51 Å) and one longer (1.57 Å) P–O bond length. The P–F bond length is 1.61 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.50 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1200202
title: Materials Data on ZnH4(CO3)2 by Materials Project

description: ZnH4(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ZnH4(CO3)2 ribbons oriented in the (0, 1, 0) direction. Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.12–2.14 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one C3+ atom.
DOI: 10.17188/1200203
title: Materials Data on NiH by Materials Project

description: NiH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni1+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing NiH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–H bond lengths are 1.86 Å. H1- is bonded to six equivalent Ni1+ atoms to form a mixture of edge and corner-sharing HNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200205
title: Materials Data on RbH by Materials Project

description: RbH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing RbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–H bond lengths are 3.02 Å. H1- is bonded to six equivalent Rb1+ atoms to form a mixture of edge and corner-sharing HRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.