cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1280263
title: Materials Data on H6CN4O3 by Materials Project

description: N2CH2(NO)2H4O crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two nitrogen molecules, two CH2(NO)2 clusters, and two H4O clusters. In each CH2(NO)2 cluster, C4+ is bonded in a linear geometry to two N1- atoms. There is one shorter (1.17 Å) and one longer (1.37 Å) C–N bond length. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. In the second N1- site, N1- is bonded in a trigonal non-coplanar geometry to one C4+ and two equivalent O2- atoms. Both N–O bond lengths are 1.43 Å. 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 water-like geometry to one N1- and one H1+ atom. In each H4O cluster, there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one H1+ and one O2- atom. The H–H bond length is 0.92 Å. The H–O bond length is 1.17 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one H1+ atom. O2- is bonded in a bent 120 degrees geometry to two equivalent H1+ atoms.
DOI: 10.17188/1280264
title: Materials Data on Rb2H6Pt by Materials Project

description: (Rb)2PtH6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight rubidium molecules and four PtH6 clusters. In each PtH6 cluster, Pt2- is bonded in an octahedral geometry to six equivalent H atoms. All Pt–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to one Pt2- atom.
DOI: 10.17188/1280265
title: Materials Data on Ba3NaBiO6 by Materials Project

description: NaBa3BiO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.34 Å) and two longer (2.88 Å) Na–O bond lengths. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.46–2.92 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ba–O bond distances ranging from 2.49–2.96 Å. Bi5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.29 Å) and two longer (2.30 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Ba2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to four Ba2+ and one O2- atom to form a mixture of distorted corner and face-sharing OBa4O square pyramids. The O–O bond length is 1.52 Å.
DOI: 10.17188/1280266
title: Materials Data on Yb4Mg3H14 by Materials Project

description: Yb4Mg3H14 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Mg–H bond distances ranging from 1.83–2.37 Å. There are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Yb–H bond distances ranging from 2.27–2.39 Å. In the second Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are three shorter (2.32 Å) and six longer (2.44 Å) Yb–H bond lengths. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded to one Mg2+ and three Yb2+ atoms to form distorted HYb3Mg tetrahedra that share corners with fourteen HYb4 tetrahedra, corners with two equivalent HYb2Mg3 trigonal bipyramids, edges with four HYb4 tetrahedra, and edges with two equivalent HYb2Mg3 trigonal bipyramids. In the second H1- site, H1- is bonded to four Yb2+ atoms to form HYb4 tetrahedra that share corners with ten HYb4 tetrahedra, corners with six equivalent HYb2Mg3 trigonal bipyramids, and edges with eight HYb4 tetrahedra. In the third H1- site, H1- is bonded to three equivalent Mg2+ and two equivalent Yb2+ atoms to form distorted HYb2Mg3 trigonal bipyramids that share corners with ten HYb4 tetrahedra, corners with four equivalent HYb2Mg3 trigonal bipyramids, edges with four equivalent HYb3Mg tetrahedra, and faces with two equivalent HYb2Mg3 trigonal bipyramids. In the fourth H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
DOI: 10.17188/1280268
title: Materials Data on Cs2Co(PO3)4 by Materials Project

description: Cs2Co(PO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.37 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.19–3.55 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.10–2.15 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of P–O bond distances ranging from 1.49–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.51 Å) and two longer (1.62 Å) P–O bond length. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Co2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Co2+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Co2+, and one P5+ atom.
DOI: 10.17188/1280270
title: Materials Data on PH8IN4 by Materials Project

description: P(NH2)4I is Tetraauricupride structured and crystallizes in the orthorhombic Cmme space group. The structure is zero-dimensional and consists of four hydriodic acid molecules and four tetraaminophosphonium molecules.
DOI: 10.17188/1280271
title: Materials Data on Cu6PbSe2Cl5O8 by Materials Project

description: CuCl2Cu5PbSe2O8Cl3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four copper chloride molecules and one Cu5PbSe2O8Cl3 framework. In the Cu5PbSe2O8Cl3 framework, there are four inequivalent Cu+2.17+ sites. In the first Cu+2.17+ site, Cu+2.17+ is bonded in a distorted trigonal bipyramidal geometry to three O2- and two Cl1- atoms. There are one shorter (1.99 Å) and two longer (2.17 Å) Cu–O bond lengths. There are one shorter (2.24 Å) and one longer (2.37 Å) Cu–Cl bond lengths. In the second Cu+2.17+ site, Cu+2.17+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.93–2.02 Å. The Cu–Cl bond length is 2.32 Å. In the third Cu+2.17+ site, Cu+2.17+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.91–2.03 Å. The Cu–Cl bond length is 2.25 Å. In the fourth Cu+2.17+ site, Cu+2.17+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.99 Å) Cu–O bond length. Pb4+ is bonded in a 5-coordinate geometry to three O2- and two Cl1- atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Pb–O bond lengths. There are one shorter (3.01 Å) and one longer (3.05 Å) Pb–Cl bond lengths. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.77 Å) Se–O bond length. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu+2.17+ and one Se2+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu+2.17+ and one Se2+ atom. In the third O2- site, O2- is bonded to three Cu+2.17+ and one Pb4+ atom to form distorted corner-sharing OCu3Pb tetrahedra. In the fourth O2- site, O2- is bonded to four Cu+2.17+ atoms to form corner-sharing OCu4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu+2.17+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu+2.17+, one Pb4+, and one Se2+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Cu+2.17+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu+2.17+ and one Pb4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu+2.17+ and one Pb4+ atom.
DOI: 10.17188/1280272
title: Materials Data on Cs2H6Pt by Materials Project

description: (Cs)2PtH6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight cesium molecules and four PtH6 clusters. In each PtH6 cluster, Pt2- is bonded in an octahedral geometry to six equivalent H atoms. All Pt–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to one Pt2- atom.
DOI: 10.17188/1280273
title: Materials Data on K3MnH5 by Materials Project

description: K3MnH5 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four H1- atoms. There are two shorter (2.73 Å) and two longer (2.79 Å) K–H bond lengths. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent H1- atoms. Both K–H bond lengths are 2.91 Å. Mn2+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Mn–H bond lengths are 1.75 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 2-coordinate geometry to one K1+ and one Mn2+ atom. In the second H1- site, H1- is bonded to six K1+ atoms to form corner-sharing HK6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°.
DOI: 10.17188/1280274
title: Materials Data on YbMgNiH4 by Materials Project

description: YbMgNiH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. All Mg–H bond lengths are 2.09 Å. Yb is bonded in a distorted hexagonal planar geometry to six H atoms. There are three shorter (2.40 Å) and three longer (2.49 Å) Yb–H bond lengths. Ni is bonded in a tetrahedral geometry to four H atoms. There is one shorter (1.58 Å) and three longer (1.59 Å) Ni–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Yb and one Ni atom to form corner-sharing HYb3Ni trigonal pyramids. In the second H site, H is bonded in a 4-coordinate geometry to two equivalent Mg, one Yb, and one Ni atom.
DOI: 10.17188/1280275
title: Materials Data on Na2AlH4ClO4 by Materials Project

description: Na2AlH4O4Cl crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form distorted NaCl2O4 octahedra that share corners with two equivalent NaCl2O4 octahedra, corners with four equivalent AlO4 tetrahedra, and edges with four equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. All Na–O bond lengths are 2.43 Å. Both Na–Cl bond lengths are 3.04 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. All Al–O bond lengths are 1.78 Å. 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 1-coordinate geometry to two equivalent Na1+, one Al3+, and one H1+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Na1+ atoms.
DOI: 10.17188/1280276
title: Materials Data on Ba2H6Pt by Materials Project

description: Ba2PtH6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve H+0.33- atoms. There are a spread of Ba–H bond distances ranging from 2.64–3.04 Å. Pt2- is bonded in a square co-planar geometry to four H+0.33- atoms. There is two shorter (1.67 Å) and two longer (1.68 Å) Pt–H bond length. There are three inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. In the second H+0.33- site, H+0.33- is bonded in a single-bond geometry to four equivalent Ba2+ and one Pt2- atom. In the third H+0.33- site, H+0.33- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Pt2- atom.
DOI: 10.17188/1280277
title: Materials Data on K2H4Pd by Materials Project

description: K2PdH4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent H1- atoms. All K–H bond lengths are 2.87 Å. In the second K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent H1- atoms. All K–H bond lengths are 2.87 Å. In the third K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent H1- atoms. All K–H bond lengths are 2.87 Å. In the fourth K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent H1- atoms. All K–H bond lengths are 2.87 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.66 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.66 Å. H1- is bonded to four K1+ and one Pd2+ atom to form a mixture of face, edge, and corner-sharing HK4Pd square pyramids.
DOI: 10.17188/1280278
title: Materials Data on Li4H3ClO3 by Materials Project

description: Li4H3O3Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- and one Cl1- atom. There is two shorter (1.97 Å) and one longer (1.99 Å) Li–O bond length. The Li–Cl bond length is 2.56 Å. In the second Li1+ site, Li1+ is bonded in a distorted tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.97 Å) and one longer (2.01 Å) Li–O bond length. The Li–Cl bond length is 2.43 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Li–O bond distances ranging from 1.96–1.99 Å. The Li–Cl bond length is 2.52 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 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom. Cl1- is bonded in a distorted tetrahedral geometry to four Li1+ atoms.
DOI: 10.17188/1280279
title: Materials Data on Na2H4Pd by Materials Project

description: Na2PdH4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. H1- is bonded to four Na1+ and one Pd2+ atom to form a mixture of edge, corner, and face-sharing HNa4Pd square pyramids.
DOI: 10.17188/1280280
title: Materials Data on Na3VH6O7 by Materials Project

description: Na3VH6O7 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with three equivalent VO4 tetrahedra, and edges with four equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Na–O bond distances ranging from 2.33–2.65 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with nine equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–59°. There is one shorter (1.73 Å) and three longer (1.76 Å) V–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.72 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.79 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three equivalent Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one V5+, and two H1+ atoms.
DOI: 10.17188/1280281
title: Materials Data on BaMg2FeH8 by Materials Project

description: BaMg2FeH8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve H1- atoms to form BaH12 cuboctahedra that share edges with six equivalent BaH12 cuboctahedra and faces with two equivalent FeH6 octahedra. There are six shorter (2.74 Å) and six longer (2.83 Å) Ba–H bond lengths. Mg2+ is bonded in a 1-coordinate geometry to ten H1- atoms. There are a spread of Mg–H bond distances ranging from 1.94–2.29 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with two equivalent BaH12 cuboctahedra. All Fe–H bond lengths are 1.58 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 1-coordinate geometry to one Ba2+, three equivalent Mg2+, and one Fe2+ atom. In the second H1- site, H1- is bonded to three equivalent Ba2+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing HBa3Mg tetrahedra.
DOI: 10.17188/1280282
title: Materials Data on ReF7 by Materials Project

description: ReF7 is alpha U structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ReF7 clusters. Re7+ is bonded in a pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Re–F bond distances ranging from 1.85–1.90 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.17188/1280283
title: Materials Data on K3ZnH5 by Materials Project

description: K3ZnH5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of K–H bond distances ranging from 2.75–2.98 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent H1- atoms. Both K–H bond lengths are 2.80 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent H1- atoms. All Zn–H bond lengths are 1.67 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Zn2+ atom. In the second H1- site, H1- is bonded to six K1+ atoms to form corner-sharing HK6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°.