cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1280284
title: Materials Data on Gd(Al10Cr)2 by Materials Project

description: GdCr2Al20 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.13 Å) and twelve longer (3.21 Å) Gd–Al bond lengths. Cr is bonded to twelve Al atoms to form CrAl12 cuboctahedra that share corners with six equivalent CrAl12 cuboctahedra, edges with eighteen equivalent AlGdAl10Cr cuboctahedra, and faces with six equivalent AlGdAl10Cr cuboctahedra. There are six shorter (2.56 Å) and six longer (2.78 Å) Cr–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.82 Å. In the second Al site, Al is bonded to one Gd, one Cr, and ten Al atoms to form distorted AlGdAl10Cr cuboctahedra that share corners with fifteen equivalent AlGdAl10Cr cuboctahedra, edges with two equivalent AlGdAl10Cr cuboctahedra, edges with three equivalent CrAl12 cuboctahedra, a faceface with one CrAl12 cuboctahedra, and faces with fifteen equivalent AlGdAl10Cr cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.72–3.10 Å. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Gd and twelve equivalent Al atoms.
DOI: 10.17188/1280285
title: Materials Data on NaH2Pd3 by Materials Project

description: NaPd3H2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Na is bonded in a 4-coordinate geometry to ten Pd and two equivalent H atoms. There are two shorter (2.86 Å) and eight longer (2.96 Å) Na–Pd bond lengths. Both Na–H bond lengths are 2.48 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Na and two equivalent H atoms. Both Pd–H bond lengths are 1.86 Å. In the second Pd site, Pd is bonded to four equivalent Na and four equivalent H atoms to form distorted PdNa4H4 hexagonal bipyramids that share corners with eight equivalent PdNa4H4 hexagonal bipyramids, corners with eight equivalent HNaPd5 octahedra, edges with eight equivalent PdNa4H4 hexagonal bipyramids, and faces with four equivalent PdNa4H4 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–137°. All Pd–H bond lengths are 2.04 Å. H is bonded to one Na and five Pd atoms to form distorted HNaPd5 octahedra that share corners with eight equivalent PdNa4H4 hexagonal bipyramids, corners with six equivalent HNaPd5 octahedra, and edges with four equivalent HNaPd5 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1280286
title: Materials Data on LiMg2H7Ru by Materials Project

description: LiMg2RuH7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Li–H bond lengths are 2.13 Å. Mg2+ is bonded in a distorted single-bond geometry to ten H1- atoms. There are a spread of Mg–H bond distances ranging from 1.87–2.36 Å. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.69 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to one Li1+, three equivalent Mg2+, and one Ru2+ atom to form a mixture of distorted corner, edge, and face-sharing HLiMg3Ru square pyramids. In the second H1- site, H1- is bonded in a linear geometry to two equivalent Mg2+ atoms.
DOI: 10.17188/1280287
title: Materials Data on SiH6(NF2)2 by Materials Project

description: Si(NH3)2F4 is alpha Po structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Si(NH3)2F4 clusters. Si4+ is bonded in an octahedral geometry to two equivalent N3- and four F1- atoms. Both Si–N bond lengths are 1.92 Å. There is two shorter (1.70 Å) and two longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ 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 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. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.
DOI: 10.17188/1280288
title: Materials Data on K2H6Pt by Materials Project

description: (K)2PtH6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight potassium 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: 10.17188/1280289
title: Materials Data on CsLi2(H2N)3 by Materials Project

description: CsLi2N3H4H2 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four hydrogen molecules and two CsLi2N3H4 ribbons oriented in the (0, 0, 1) direction. In each CsLi2N3H4 ribbon, Cs1+ is bonded in a 4-coordinate geometry to two equivalent N3- and two equivalent H1+ atoms. Both Cs–N bond lengths are 2.98 Å. Both Cs–H bond lengths are 2.97 Å. Li1+ is bonded in a 2-coordinate geometry to four N3- atoms. There are two shorter (1.99 Å) and two longer (2.17 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent Li1+ and two equivalent N3- atoms. Both N–N bond lengths are 1.33 Å. In the second N3- site, N3- is bonded in a 4-coordinate geometry to one Cs1+, two equivalent Li1+, and one N3- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one H1+ atom. The H–H bond length is 0.76 Å. In the second H1+ site, H1+ is bonded in a distorted water-like geometry to one Cs1+ and one H1+ atom.
DOI: 10.17188/1280290
title: Materials Data on SrMgNiH4 by Materials Project

description: SrMgNiH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to nine H atoms. There are a spread of Sr–H bond distances ranging from 2.52–2.92 Å. Mg is bonded in a 6-coordinate geometry to six equivalent H atoms. There are three shorter (2.14 Å) and three longer (2.19 Å) Mg–H bond lengths. Ni is bonded in a tetrahedral geometry to four H atoms. All Ni–H bond lengths are 1.60 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Sr and one Ni atom to form distorted corner-sharing HSr3Ni tetrahedra. In the second H site, H is bonded in a 3-coordinate geometry to two equivalent Sr, two equivalent Mg, and one Ni atom.
DOI: 10.17188/1280291
title: Materials Data on KNd(PO3)4 by Materials Project

description: KNdP4O12 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.22 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.55 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.61 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.61 Å) P–O bond length. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Nd3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Nd3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Nd3+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Nd3+, and one P5+ atom.
DOI: 10.17188/1280292
title: Materials Data on HPbCSNO by Materials Project

description: PbCNHSO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two PbCNHSO ribbons oriented in the (1, 0, 0) direction. Pb2+ is bonded in a 4-coordinate geometry to one N3- and three equivalent O2- atoms. The Pb–N bond length is 2.56 Å. There are one shorter (2.42 Å) and two longer (2.48 Å) Pb–O bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.63 Å. N3- is bonded in a distorted single-bond geometry to one Pb2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S2- is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one H1+ atom.
DOI: 10.17188/1280293
title: Materials Data on Al2Ge(HO3)2 by Materials Project

description: Al2Ge(HO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.96 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There is two shorter (1.79 Å) and two longer (1.80 Å) Ge–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Al3+ and one H1+ atom.
DOI: 10.17188/1280294
title: Materials Data on SrH2Br2O by Materials Project

description: SrH2OBr2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Br1- atoms. Both Sr–O bond lengths are 2.69 Å. There are a spread of Sr–Br bond distances ranging from 3.19–3.54 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 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Sr2+ and two H1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to four equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms.
DOI: 10.17188/1280295
title: Materials Data on Rb2Sn(H2N)6 by Materials Project

description: Rb2Sn(NH2)6 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Rb2Sn(NH2)6 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 9-coordinate geometry to three equivalent N3- and six equivalent H1+ atoms. All Rb–N bond lengths are 2.99 Å. There are three shorter (2.86 Å) and three longer (3.04 Å) Rb–H bond lengths. Sn4+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Sn–N bond lengths are 2.22 Å. N3- is bonded in a distorted water-like geometry to one Rb1+, one Sn4+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1280296
title: Materials Data on HPbClO by Materials Project

description: Pb(OH)Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Cl1- atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.04–3.49 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 single-bond geometry to three equivalent Pb2+ and one H1+ atom. Cl1- is bonded in a 5-coordinate geometry to five equivalent Pb2+ atoms.
DOI: 10.17188/1280297
title: Materials Data on KH3C2O3 by Materials Project

description: KC2H3O3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one KC2H3O3 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.09 Å. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.25–1.41 Å. In the second C1+ site, C1+ is bonded in a tetrahedral geometry to three H1+ and one O2- atom. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are three 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. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C1+ atom.
DOI: 10.17188/1280298
title: Materials Data on YCBr by Materials Project

description: YCBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCBr sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Br1- atoms. There are a spread of Y–C bond distances ranging from 2.34–2.65 Å. There are two shorter (2.91 Å) and one longer (3.08 Å) Y–Br bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one C2- atom. The C–C bond length is 1.34 Å. Br1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.
DOI: 10.17188/1280299
title: Materials Data on Ba2MgH6 by Materials Project

description: Ba2MgH6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent H1- atoms to form BaH12 cuboctahedra that share corners with six equivalent BaH12 cuboctahedra, corners with three equivalent MgH6 octahedra, faces with eight equivalent BaH12 cuboctahedra, and faces with three equivalent MgH6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Ba–H bond distances ranging from 2.75–2.87 Å. Mg2+ is bonded to six equivalent H1- atoms to form MgH6 octahedra that share corners with six equivalent BaH12 cuboctahedra and faces with six equivalent BaH12 cuboctahedra. All Mg–H bond lengths are 1.98 Å. H1- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Mg2+ atom.
DOI: 10.17188/1280300
title: Materials Data on K2Sn(H2N)6 by Materials Project

description: K2Sn(NH2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent H1+ atoms. There are three shorter (2.87 Å) and three longer (2.99 Å) K–N bond lengths. All K–H bond lengths are 2.87 Å. Sn4+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Sn–N bond lengths are 2.23 Å. N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Sn4+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two 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 K1+ and one N3- atom.
DOI: 10.17188/1280301
title: Materials Data on CuH4Pb2(ClO2)2 by Materials Project

description: Pb2Cu(OH)4Cl2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one hydrochloric acid molecule and one CuPb2H4O4Cl sheet oriented in the (0, 0, 1) direction. In the CuPb2H4O4Cl sheet, Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 2.00 Å. The Cu–Cl bond length is 2.58 Å. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.50 Å. 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 1-coordinate geometry to one Cu2+, two equivalent Pb2+, and one H1+ atom. Cl1- is bonded in a 1-coordinate geometry to one Cu2+ atom.
DOI: 10.17188/1280302
title: Materials Data on BaHIO by Materials Project

description: BaHOI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent I1- atoms. All Ba–O bond lengths are 2.66 Å. There are a spread of Ba–I bond distances ranging from 3.73–3.75 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 distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.
DOI: 10.17188/1280303
title: Materials Data on SrHIO by Materials Project

description: SrHOI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent I1- atoms. All Sr–O bond lengths are 2.48 Å. There are four shorter (3.61 Å) and one longer (3.65 Å) Sr–I 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 distorted single-bond geometry to three equivalent Sr2+ and one H1+ atom. I1- is bonded in a 5-coordinate geometry to five equivalent Sr2+ atoms.
DOI: 10.17188/1280304
title: Materials Data on AlH2PbO2F3 by Materials Project

description: AlPbH2O2F3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Al3+ is bonded to three O2- and three F1- atoms to form edge-sharing AlO3F3 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.94 Å. There are a spread of Al–F bond distances ranging from 1.82–1.85 Å. Pb2+ is bonded in a 9-coordinate geometry to three O2- and five F1- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.62 Å. There are a spread of Pb–F bond distances ranging from 2.57–3.00 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 two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Al3+, one Pb2+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, two equivalent Pb2+, and one H1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two equivalent Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Al3+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1280305
title: Materials Data on Ca(HO)2 by Materials Project

description: Ca(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to two equivalent H1+ and seven O2- atoms. There are one shorter (2.44 Å) and one longer (2.62 Å) Ca–H bond lengths. There are a spread of Ca–O bond distances ranging from 2.37–2.64 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 two equivalent Ca2+ and 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 single-bond geometry to three equivalent Ca2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Ca2+ and one H1+ atom.
DOI: 10.17188/1280306
title: Materials Data on NaInH8(NF3)2 by Materials Project

description: NaInF6(NH4)2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaInF6 framework. In the NaInF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.26 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a linear geometry to one Na1+ and one In3+ atom.
DOI: 10.17188/1280307
title: Materials Data on H8Pd(NCl3)2 by Materials Project

description: (NH4)2PdCl6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonium molecules and four PdCl6 clusters. In each PdCl6 cluster, Pd4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.35 Å. Cl1- is bonded in a single-bond geometry to one Pd4+ atom.