cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199877
title: Materials Data on MgH2SO5 by Materials Project

description: MgH2SO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mg–O bond distances ranging from 2.04–2.20 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 39–47°. There is two shorter (1.47 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Mg2+ and two equivalent H1+ atoms.
DOI: 10.17188/1199878
title: Materials Data on H2O by Materials Project

description: H2O crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of thirty-six water molecules. 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 1.00 Å. O2- is bonded in a water-like geometry to two H1+ atoms.
DOI: 10.17188/1199879
title: Materials Data on CaH12(BrO3)2 by Materials Project

description: Ca(H2O)6(Br)2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrobromic acid molecules and one Ca(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Ca(H2O)6 ribbon, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.45 Å) and six longer (2.64 Å) Ca–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 water-like geometry to one Ca2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Ca2+ and two equivalent H1+ atoms.
DOI: 10.17188/1199880
title: Materials Data on AlP(H2O3)2 by Materials Project

description: AlPO4(H2O)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 38–43°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four 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 distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.57 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. 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 distorted trigonal planar geometry to one Al3+, one P5+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+, one P5+, and one H1+ atom.
DOI: 10.17188/1199881
title: Materials Data on NaAlH24(SO10)2 by Materials Project

description: NaAl(H2O)12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one NaAl(H2O)12 framework. In the NaAl(H2O)12 framework, Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. 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. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and three H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms.
DOI: 10.17188/1199882
title: Materials Data on ErHCl by Materials Project

description: ErHCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ErHCl sheets oriented in the (0, 0, 1) direction. Er is bonded in a 7-coordinate geometry to four equivalent H and three equivalent Cl atoms. There are one shorter (2.18 Å) and three longer (2.20 Å) Er–H bond lengths. All Er–Cl bond lengths are 2.73 Å. H is bonded to four equivalent Er atoms to form a mixture of corner and edge-sharing HEr4 tetrahedra. Cl is bonded in a distorted T-shaped geometry to three equivalent Er atoms.
DOI: 10.17188/1199883
title: Materials Data on CaMgNiH4 by Materials Project

description: CaMgNiH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ca is bonded in a hexagonal planar geometry to six H atoms. There are three shorter (2.45 Å) and three longer (2.52 Å) Ca–H bond lengths. Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. There are three shorter (2.10 Å) and three longer (2.15 Å) Mg–H bond lengths. Ni is bonded in a tetrahedral geometry to four H atoms. All Ni–H bond lengths are 1.59 Å. There are two inequivalent H sites. In the first H site, H is bonded in a distorted rectangular see-saw-like geometry to one Ca, two equivalent Mg, and one Ni atom. In the second H site, H is bonded to three equivalent Ca and one Ni atom to form corner-sharing HCa3Ni trigonal pyramids.
DOI: 10.17188/1199884
title: Materials Data on AgH2ClO5 by Materials Project

description: AgH2O5Cl crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgH2O5Cl sheets oriented in the (0, 0, 1) direction. Ag is bonded in a 7-coordinate geometry to five O atoms. There are a spread of Ag–O bond distances ranging from 2.44–2.76 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Ag and two H atoms. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ag and one Cl atom. The O–Cl bond length is 1.48 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms.
DOI: 10.17188/1199885
title: Materials Data on AgBH2OF4 by Materials Project

description: AgBH2OF4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ag1+ is bonded in a 7-coordinate geometry to two equivalent O2- and six F1- atoms. Both Ag–O bond lengths are 2.39 Å. There are a spread of Ag–F bond distances ranging from 2.72–3.08 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.44 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 0.99 Å. O2- is bonded in a water-like geometry to two equivalent Ag1+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Ag1+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one B3+ atom.
DOI: 10.17188/1199886
title: Materials Data on Mg5Pd2 by Materials Project

description: Mg5Pd2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Pd atoms. There are a spread of Mg–Pd bond distances ranging from 2.63–2.99 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (2.80 Å) and one longer (3.09 Å) Mg–Pd bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.76 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Mg atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1199887
title: Materials Data on PHF2 by Materials Project

description: PHF2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four difluorophosphine molecules. P3+ is bonded in a 2-coordinate geometry to one H1- and two F1- atoms. The P–H bond length is 1.43 Å. Both P–F bond lengths are 1.62 Å. H1- is bonded in a single-bond geometry to one P3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P3+ atom.
DOI: 10.17188/1199889
title: Materials Data on SrHClO by Materials Project

description: SrHOCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent O2- and four equivalent Cl1- atoms. All Sr–O bond lengths are 2.51 Å. There are three shorter (3.06 Å) and one longer (3.16 Å) Sr–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one H1+ atom. Cl1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sr2+ atoms.
DOI: 10.17188/1199890
title: Materials Data on AgH5S2O9 by Materials Project

description: AgH5S2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.79 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.52 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 (1.02 Å) and one longer (1.55 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.59 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.57 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+, one H1+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two H1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one H1+, and one S6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one H1+, and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+, one H1+, and one S6+ atom.
DOI: 10.17188/1199891
title: Materials Data on Gd(HO)3 by Materials Project

description: Gd(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.47 Å) and three longer (2.49 Å) Gd–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Gd3+ and one H1+ atom.
DOI: 10.17188/1199892
title: Materials Data on Dy(HO)3 by Materials Project

description: Dy(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.42 Å) and three longer (2.48 Å) Dy–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Dy3+ and one H1+ atom.
DOI: 10.17188/1199893
title: Materials Data on Ho(HO)3 by Materials Project

description: Ho(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ho3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.41 Å) and three longer (2.47 Å) Ho–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Ho3+ and one H1+ atom.
DOI: 10.17188/1199894
title: Materials Data on Y(HO)3 by Materials Project

description: Y(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.43 Å) and three longer (2.49 Å) Y–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Y3+ and one H1+ atom.
DOI: 10.17188/1199896
title: Materials Data on Ga3Pd5 by Materials Project

description: Ga3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.95 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.55–2.76 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to six Ga atoms. There are four shorter (2.72 Å) and two longer (2.75 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight Pd atoms.
DOI: 10.17188/1199897
title: Materials Data on ScHCl by Materials Project

description: ScHCl is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ScHCl sheets oriented in the (0, 0, 1) direction. Sc2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.00 Å) and three longer (2.09 Å) Sc–H bond lengths. All Sc–Cl bond lengths are 2.59 Å. H1- is bonded to four equivalent Sc2+ atoms to form a mixture of corner and edge-sharing HSc4 tetrahedra. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.
DOI: 10.17188/1199898
title: Materials Data on Ta2H by Materials Project

description: Ta2H crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of one Ta2H sheet oriented in the (0, 0, 1) direction. Ta is bonded in a water-like geometry to two equivalent H atoms. Both Ta–H bond lengths are 1.94 Å. H is bonded to four equivalent Ta atoms to form distorted corner-sharing HTa4 tetrahedra.
DOI: 10.17188/1199899
title: Materials Data on Th2AlH4 by Materials Project

description: Th2AlH4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Al and eight equivalent H atoms. All Th–Al bond lengths are 3.29 Å. There are a spread of Th–H bond distances ranging from 2.32–2.46 Å. Al is bonded in a 8-coordinate geometry to eight equivalent Th atoms. H is bonded to four equivalent Th atoms to form a mixture of face, edge, and corner-sharing HTh4 tetrahedra.
DOI: 10.17188/1199900
title: Materials Data on KH by Materials Project

description: HK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.85 Å. H1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing HK6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199901
title: Materials Data on H4INO4 by Materials Project

description: NH4IO4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four ammonium molecules and four IO4 clusters. In each IO4 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a tetrahedral geometry to four equivalent O2- atoms.
DOI: 10.17188/1199902
title: Materials Data on Ni5Sb2 by Materials Project

description: Ni5Sb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded to four Sb3- atoms to form distorted NiSb4 tetrahedra that share corners with six equivalent NiSb5 square pyramids, corners with twelve equivalent NiSb4 tetrahedra, edges with two equivalent NiSb5 square pyramids, and edges with four NiSb4 tetrahedra. There are two shorter (2.58 Å) and two longer (2.61 Å) Ni–Sb bond lengths. In the second Ni+1.20+ site, Ni+1.20+ is bonded to five Sb3- atoms to form distorted NiSb5 square pyramids that share corners with two equivalent NiSb5 square pyramids, corners with sixteen NiSb4 tetrahedra, edges with three equivalent NiSb5 square pyramids, edges with four NiSb4 tetrahedra, and faces with two equivalent NiSb4 tetrahedra. There are a spread of Ni–Sb bond distances ranging from 2.62–2.83 Å. In the third Ni+1.20+ site, Ni+1.20+ is bonded in a rectangular see-saw-like geometry to four Sb3- atoms. There are a spread of Ni–Sb bond distances ranging from 2.59–2.71 Å. In the fourth Ni+1.20+ site, Ni+1.20+ is bonded to four Sb3- atoms to form NiSb4 tetrahedra that share corners with five equivalent NiSb5 square pyramids, corners with ten NiSb4 tetrahedra, an edgeedge with one NiSb5 square pyramid, edges with five NiSb4 tetrahedra, and a faceface with one NiSb5 square pyramid. There are a spread of Ni–Sb bond distances ranging from 2.58–2.63 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 11-coordinate geometry to eleven Ni+1.20+ atoms. In the second Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten Ni+1.20+ atoms.
DOI: 10.17188/1199903
title: Materials Data on BaH4(IO)2 by Materials Project

description: Ba(H2O)2(I)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight hydriodic acid molecules and two Ba(H2O)2 ribbons oriented in the (0, 0, 1) direction. In each Ba(H2O)2 ribbon, Ba2+ is bonded in a 10-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.86 Å) and two longer (2.94 Å) Ba–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. O2- is bonded in a water-like geometry to two equivalent Ba2+ and two H1+ atoms.
DOI: 10.17188/1199904
title: Materials Data on GaH4NF4 by Materials Project

description: GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.
DOI: 10.17188/1199905
title: Materials Data on GdH2 by Materials Project

description: GdH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Gd–H bond lengths are 2.30 Å. H is bonded to four equivalent Gd atoms to form a mixture of edge and corner-sharing HGd4 tetrahedra.
DOI: 10.17188/1199906
title: Materials Data on CuH by Materials Project

description: CuH is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent H1- atoms to form corner-sharing CuH4 tetrahedra. All Cu–H bond lengths are 1.73 Å. H1- is bonded to four equivalent Cu1+ atoms to form corner-sharing HCu4 tetrahedra.