cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199255
title: Materials Data on MgIn by Materials Project

description: MgIn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent In atoms to form distorted MgMg4In8 cuboctahedra that share corners with twelve equivalent MgMg4In8 cuboctahedra, edges with eight equivalent MgMg4In8 cuboctahedra, edges with sixteen equivalent InMg8In4 cuboctahedra, faces with eight equivalent InMg8In4 cuboctahedra, and faces with ten equivalent MgMg4In8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–In bond lengths are 3.20 Å. In is bonded to eight equivalent Mg and four equivalent In atoms to form distorted InMg8In4 cuboctahedra that share corners with twelve equivalent InMg8In4 cuboctahedra, edges with eight equivalent InMg8In4 cuboctahedra, edges with sixteen equivalent MgMg4In8 cuboctahedra, faces with eight equivalent MgMg4In8 cuboctahedra, and faces with ten equivalent InMg8In4 cuboctahedra. All In–In bond lengths are 3.27 Å.
DOI: 10.17188/1199256
title: Materials Data on Sr2BN2Cl by Materials Project

description: Sr2BN2Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N3- and two equivalent Cl1- atoms to form SrN4Cl2 octahedra that share corners with five equivalent SrN3Cl3 octahedra and edges with seven SrN4Cl2 octahedra. The corner-sharing octahedra tilt angles range from 4–73°. There are a spread of Sr–N bond distances ranging from 2.58–2.74 Å. Both Sr–Cl bond lengths are 3.07 Å. In the second Sr2+ site, Sr2+ is bonded to three N3- and three equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing SrN3Cl3 octahedra. The corner-sharing octahedra tilt angles range from 4–73°. There are two shorter (2.53 Å) and one longer (2.74 Å) Sr–N bond lengths. There are one shorter (3.02 Å) and two longer (3.15 Å) Sr–Cl bond lengths. B3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.34 Å) and one longer (1.36 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three Sr2+ and one B3+ atom to form distorted NSr3B tetrahedra that share corners with two equivalent NSr3B tetrahedra, corners with two equivalent NSr4B trigonal bipyramids, corners with six equivalent ClSr5 trigonal bipyramids, an edgeedge with one ClSr5 trigonal bipyramid, and edges with two equivalent NSr4B trigonal bipyramids. In the second N3- site, N3- is bonded to four Sr2+ and one B3+ atom to form distorted NSr4B trigonal bipyramids that share corners with two equivalent NSr3B tetrahedra, corners with two equivalent NSr4B trigonal bipyramids, corners with seven equivalent ClSr5 trigonal bipyramids, edges with two equivalent NSr3B tetrahedra, an edgeedge with one ClSr5 trigonal bipyramid, and edges with two equivalent NSr4B trigonal bipyramids. Cl1- is bonded to five Sr2+ atoms to form distorted ClSr5 trigonal bipyramids that share corners with six equivalent NSr3B tetrahedra, corners with seven equivalent NSr4B trigonal bipyramids, an edgeedge with one NSr3B tetrahedra, an edgeedge with one NSr4B trigonal bipyramid, and edges with four equivalent ClSr5 trigonal bipyramids.
DOI: 10.17188/1199257
title: Materials Data on Sr2Cu3(BrO2)2 by Materials Project

description: Sr2Cu3O4Br2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Sr–O bond lengths are 2.65 Å. All Sr–Br bond lengths are 3.21 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded to two equivalent Sr2+ and three Cu2+ atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with eight equivalent BrSr4 tetrahedra, corners with three equivalent OSr2Cu3 trigonal bipyramids, edges with three equivalent OSr2Cu3 trigonal bipyramids, and faces with two equivalent OSr2Cu3 trigonal bipyramids. Br1- is bonded to four equivalent Sr2+ atoms to form distorted BrSr4 tetrahedra that share corners with four equivalent BrSr4 tetrahedra, corners with sixteen equivalent OSr2Cu3 trigonal bipyramids, and edges with four equivalent BrSr4 tetrahedra.
DOI: 10.17188/1199258
title: Materials Data on Ba2YBiO6 by Materials Project

description: YBa2BiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.08 Å. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–O bond lengths are 2.23 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent YO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Y3+, and one Bi5+ atom.
DOI: 10.17188/1199259
title: Materials Data on SbPbClO2 by Materials Project

description: PbSbO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.55 Å. There are two shorter (3.19 Å) and two longer (3.30 Å) Pb–Cl bond lengths. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sb–O bond lengths are 2.13 Å. O2- is bonded to two equivalent Pb2+ and two equivalent Sb3+ atoms to form distorted OSb2Pb2 tetrahedra that share corners with four equivalent OSb2Pb2 tetrahedra, corners with eight equivalent ClPb4 tetrahedra, and edges with four equivalent OSb2Pb2 tetrahedra. Cl1- is bonded to four equivalent Pb2+ atoms to form ClPb4 tetrahedra that share corners with four equivalent ClPb4 tetrahedra, corners with sixteen equivalent OSb2Pb2 tetrahedra, and edges with four equivalent ClPb4 tetrahedra.
DOI: 10.17188/1199260
title: Materials Data on LiPb by Materials Project

description: PbLi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Li–Pb bond lengths are 3.09 Å. Pb is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1199261
title: Materials Data on AgHgSI by Materials Project

description: AgHgSI crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent S2- and two equivalent I1- atoms to form corner-sharing AgS2I2 tetrahedra. There are one shorter (2.61 Å) and one longer (2.67 Å) Ag–S bond lengths. There are one shorter (2.80 Å) and one longer (2.94 Å) Ag–I bond lengths. Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.40 Å. S2- is bonded to two equivalent Ag1+ and two equivalent Hg2+ atoms to form distorted corner-sharing SAg2Hg2 trigonal pyramids. I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ atoms.
DOI: 10.17188/1199262
title: Materials Data on Sr5P3BrO12 by Materials Project

description: Sr5P3O12Br crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 3-coordinate geometry to six O2- and two equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.44–3.03 Å. Both Sr–Br bond lengths are 3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.91 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.57 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one P5+ atom. Br1- is bonded to six equivalent Sr2+ atoms to form distorted face-sharing BrSr6 octahedra.
DOI: 10.17188/1199263
title: Materials Data on Ca2Cu(ClO)2 by Materials Project

description: Ca2CuO2Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Ca–O bond lengths are 2.51 Å. There are four shorter (3.00 Å) and one longer (3.27 Å) Ca–Cl bond lengths. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.94 Å. Both Cu–Cl bond lengths are 2.79 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Cu2+ atoms to form a mixture of corner, edge, and face-sharing OCa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a 6-coordinate geometry to five equivalent Ca2+ and one Cu2+ atom.
DOI: 10.17188/1199264
title: Materials Data on TlRe3(Se2Cl)2 by Materials Project

description: Re3Tl(Se2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Se2- atoms to form ReSe5 square pyramids that share corners with two ReSe4Cl square pyramids and edges with five ReSe5 square pyramids. There are a spread of Re–Se bond distances ranging from 2.53–2.66 Å. In the second Re3+ site, Re3+ is bonded to four Se2- and one Cl1- atom to form a mixture of edge and corner-sharing ReSe4Cl square pyramids. There are a spread of Re–Se bond distances ranging from 2.53–2.56 Å. The Re–Cl bond length is 2.45 Å. In the third Re3+ site, Re3+ is bonded to four Se2- and one Cl1- atom to form a mixture of edge and corner-sharing ReSe4Cl square pyramids. There are one shorter (2.54 Å) and three longer (2.55 Å) Re–Se bond lengths. The Re–Cl bond length is 2.46 Å. Tl1+ is bonded in a 9-coordinate geometry to one Se2- and four Cl1- atoms. The Tl–Se bond length is 3.54 Å. There are a spread of Tl–Cl bond distances ranging from 3.07–3.57 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Re3+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to three Re3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Re3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Re3+ and one Tl1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re3+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Re3+ and two equivalent Tl1+ atoms.
DOI: 10.17188/1199265
title: Materials Data on Na4Al3Si3ClO12 by Materials Project

description: Na4Al3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Cl1- atom to form distorted NaClO3 tetrahedra that share corners with three equivalent NaClO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.37 Å. The Na–Cl bond length is 2.76 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.
DOI: 10.17188/1199266
title: Materials Data on TlZnSClO4 by Materials Project

description: ZnTlSO4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zn2+ is bonded to three O2- and one Cl1- atom to form ZnClO3 tetrahedra that share corners with three equivalent SO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.98–2.01 Å. The Zn–Cl bond length is 2.22 Å. Tl1+ is bonded in a 8-coordinate geometry to five O2- and three equivalent Cl1- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.30 Å. There are a spread of Tl–Cl bond distances ranging from 3.31–3.38 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ZnClO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Tl1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+, one Tl1+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Tl1+, and one S6+ atom. Cl1- is bonded in a distorted single-bond geometry to one Zn2+ and three equivalent Tl1+ atoms.
DOI: 10.17188/1199267
title: Materials Data on Na4Al3Si3BrO12 by Materials Project

description: Na4Al3Si3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one Br1- atom to form distorted NaBrO3 tetrahedra that share corners with three equivalent NaBrO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.38 Å. The Na–Br bond length is 2.91 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.
DOI: 10.17188/1199268
title: Materials Data on K4Al3Si3ClO12 by Materials Project

description: K4Al3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six equivalent O2- and one Cl1- atom. There are three shorter (2.79 Å) and three longer (2.92 Å) K–O bond lengths. The K–Cl bond length is 3.02 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent K1+ atoms.
DOI: 10.17188/1199269
title: Materials Data on NaB15 by Materials Project

description: NaB15 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to sixteen B atoms. There are a spread of Na–B bond distances ranging from 2.50–2.88 Å. There are six inequivalent B sites. In the first B site, B is bonded in a distorted rectangular see-saw-like geometry to four B atoms. There is two shorter (1.60 Å) and two longer (1.75 Å) B–B bond length. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.76–2.08 Å. In the third B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the fourth B site, B is bonded in a 4-coordinate geometry to one Na and five B atoms. There is two shorter (1.72 Å) and one longer (2.16 Å) B–B bond length. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Na and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.88 Å. In the sixth B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. The B–B bond length is 1.78 Å.
DOI: 10.17188/1199270
title: Materials Data on CS2NClO2 by Materials Project

description: CNS2O2Cl crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four CNS2O2Cl clusters. C4+ is bonded in a 3-coordinate geometry to one S2-, one O2-, and one Cl1- atom. The C–S bond length is 1.77 Å. The C–O bond length is 1.20 Å. The C–Cl bond length is 1.78 Å. N5+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.65 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one C4+ and one N5+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one N5+ and one O2- atom. The S–O bond length is 1.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1199271
title: Materials Data on Na4BeAlSi4ClO12 by Materials Project

description: Na4BeAlSi4O12Cl is Chalcostibite-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Na–O bond distances ranging from 2.32–2.63 Å. The Na–Cl bond length is 2.73 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.64 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra, a cornercorner with one AlO4 tetrahedra, and corners with two equivalent SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.
DOI: 10.17188/1199272
title: Materials Data on Bi by Materials Project

description: Bi is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Bi is bonded to six equivalent Bi atoms to form a mixture of distorted edge and corner-sharing BiBi6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are three shorter (3.10 Å) and three longer (3.59 Å) Bi–Bi bond lengths.
DOI: 10.17188/1199273
title: Materials Data on I by Materials Project

description: I crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two I sheets oriented in the (0, 1, 0) direction. I is bonded in a distorted T-shaped geometry to three equivalent I atoms. There are one shorter (2.82 Å) and two longer (3.40 Å) I–I bond lengths.
DOI: 10.17188/1199274
title: Materials Data on Br by Materials Project

description: Br is Protactinium structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four bromine molecules. Br is bonded in a distorted single-bond geometry to one Br atom. The Br–Br bond length is 2.39 Å.
DOI: 10.17188/1199275
title: Materials Data on Ar by Materials Project

description: Ar is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four argon molecules. Ar is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1199276
title: Materials Data on He by Materials Project

description: He is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two helium molecules. He is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1199277
title: Materials Data on Bi by Materials Project

description: Bi is beta Sn structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Bi is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing BiBi6 octahedra. The corner-sharing octahedra tilt angles range from 0–88°. There are a spread of Bi–Bi bond distances ranging from 3.21–3.45 Å.
DOI: 10.17188/1199278
title: Materials Data on He by Materials Project

description: He is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two helium molecules. He is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1199279
title: Materials Data on SrBi3 by Materials Project

description: SrBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing SrBi12 cuboctahedra. All Sr–Bi bond lengths are 3.59 Å. Bi is bonded in a square co-planar geometry to four equivalent Sr atoms.
DOI: 10.17188/1199280
title: Materials Data on TmZn by Materials Project

description: TmZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tm–Zn bond lengths are 3.05 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1199281
title: Materials Data on ThBr4 by Materials Project

description: ThBr4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (2.89 Å) and four longer (3.13 Å) Th–Br bond lengths. Br1- is bonded in a distorted water-like geometry to two equivalent Th4+ atoms.
DOI: 10.17188/1199282
title: Materials Data on NpCl4 by Materials Project

description: NpCl4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are four shorter (2.64 Å) and four longer (2.90 Å) Np–Cl bond lengths. Cl1- is bonded in a distorted water-like geometry to two equivalent Np4+ atoms.