cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1202656
title: Materials Data on Ca2AsI by Materials Project

description: Ca2AsI is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to three equivalent As3- and three equivalent I1- atoms to form a mixture of edge and corner-sharing CaAs3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–As bond lengths are 2.93 Å. All Ca–I bond lengths are 3.43 Å. As3- is bonded to six equivalent Ca2+ atoms to form AsCa6 octahedra that share corners with six equivalent ICa6 octahedra, edges with six equivalent AsCa6 octahedra, and edges with six equivalent ICa6 octahedra. The corner-sharing octahedral tilt angles are 12°. I1- is bonded to six equivalent Ca2+ atoms to form ICa6 octahedra that share corners with six equivalent AsCa6 octahedra, edges with six equivalent AsCa6 octahedra, and edges with six equivalent ICa6 octahedra. The corner-sharing octahedral tilt angles are 12°.
DOI: 10.17188/1202657
title: Materials Data on RbSF5 by Materials Project

description: RbSF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.96–3.33 Å. S4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of S–F bond distances ranging from 1.62–1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom.
DOI: 10.17188/1202658
title: Materials Data on Na3CuO3 by Materials Project

description: Na3CuO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are six inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.40–2.63 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted corner-sharing NaO4 trigonal pyramids. All Na–O bond lengths are 2.24 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.58 Å. In the fourth Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.68 Å. In the fifth Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.48 Å. In the sixth Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.45 Å. There are three inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.83 Å) and two longer (1.88 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.88 Å) Cu–O bond length. In the third Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.83 Å) and two longer (1.88 Å) Cu–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Cu3+ atoms. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Cu3+ atom. In the fourth O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Cu3+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Cu3+ atoms.
DOI: 10.17188/1202659
title: Materials Data on Ag2PdCl4 by Materials Project

description: PdAg2Cl4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. Ag1+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 7–35°. There are a spread of Ag–Cl bond distances ranging from 2.65–3.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and two equivalent Ag1+ atoms. In the second Cl1- site, Cl1- is bonded to one Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClAg4Pd square pyramids.
DOI: 10.17188/1202660
title: Materials Data on RbGeBr3 by Materials Project

description: RbGeBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–3.83 Å. Ge2+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Ge–Br bond distances ranging from 2.57–3.38 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Ge2+ atoms.
DOI: 10.17188/1202661
title: Materials Data on Na6Be8O11 by Materials Project

description: Na6Be8O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.48–2.87 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.49 Å. In the third Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.99 Å. There are four inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.53–1.56 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.63–1.68 Å. In the third Be2+ site, Be2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.60–1.73 Å. In the fourth Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Be–O bond distances ranging from 1.55–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and three Be2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+ and three Be2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four Na1+ and two equivalent Be2+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four Na1+ and two Be2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and three Be2+ atoms. In the sixth O2- site, O2- is bonded to four Na1+ and two Be2+ atoms to form distorted edge-sharing ONa4Be2 octahedra.
DOI: 10.17188/1202662
title: Materials Data on Mn4Al11 by Materials Project

description: Al11Mn4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.38–2.74 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.38–2.75 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.91 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to three Mn and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.57–2.94 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to four Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–2.99 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.92 Å. In the fifth Al site, Al is bonded in a 11-coordinate geometry to four Mn and seven Al atoms. There are one shorter (2.63 Å) and one longer (2.69 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Mn and seven Al atoms. The Al–Al bond length is 2.60 Å.
DOI: 10.17188/1202663
title: Materials Data on RbAsSe2 by Materials Project

description: RbAsSe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Se2- atoms to form distorted edge-sharing RbSe6 pentagonal pyramids. There are a spread of Rb–Se bond distances ranging from 3.57–3.82 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.51–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.48–3.90 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.33–2.51 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.35–2.49 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Rb1+ and one As3+ atom to form distorted SeRb4As trigonal bipyramids that share corners with two equivalent SeRb4As trigonal bipyramids, corners with three equivalent SeRb2As2 trigonal pyramids, edges with three equivalent SeRb4As trigonal bipyramids, and an edgeedge with one SeRb2As2 trigonal pyramid. In the second Se2- site, Se2- is bonded to two equivalent Rb1+ and two As3+ atoms to form distorted SeRb2As2 trigonal pyramids that share corners with three equivalent SeRb4As trigonal bipyramids, corners with two equivalent SeRb2As2 trigonal pyramids, and an edgeedge with one SeRb4As trigonal bipyramid. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three Rb1+ and one As3+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Rb1+ and two As3+ atoms.
DOI: 10.17188/1202664
title: Materials Data on CsAsSe2 by Materials Project

description: CsAsSe2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.14 Å. As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) As–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent As3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one As3+ atom.
DOI: 10.17188/1202665
title: Materials Data on Rb4PbBr6 by Materials Project

description: Rb4PbBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.64–3.79 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Pb–Br bond lengths are 3.05 Å. Br1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–67°.
DOI: 10.17188/1202666
title: Materials Data on NaTiSe4 by Materials Project

description: NaTiSe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight Se+1.25- atoms. There are a spread of Na–Se bond distances ranging from 3.04–3.58 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Se+1.25- atoms. There are a spread of Na–Se bond distances ranging from 2.99–3.43 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to seven Se+1.25- atoms to form distorted face-sharing TiSe7 pentagonal bipyramids. There are a spread of Ti–Se bond distances ranging from 2.40–2.86 Å. In the second Ti4+ site, Ti4+ is bonded to seven Se+1.25- atoms to form face-sharing TiSe7 pentagonal bipyramids. There are a spread of Ti–Se bond distances ranging from 2.45–2.79 Å. There are eight inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Ti4+, and one Se+1.25- atom. The Se–Se bond length is 2.41 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 5-coordinate geometry to two Na1+, two Ti4+, and one Se+1.25- atom. In the third Se+1.25- site, Se+1.25- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Ti4+ atoms. In the fourth Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to one Na1+ and two Ti4+ atoms. In the fifth Se+1.25- site, Se+1.25- is bonded to three Na1+ and two Ti4+ atoms to form distorted edge-sharing SeNa3Ti2 square pyramids. In the sixth Se+1.25- site, Se+1.25- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Ti4+ atoms. In the seventh Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to one Na1+ and two Ti4+ atoms. In the eighth Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Na1+ and one Ti4+ atom.
DOI: 10.17188/1202667
title: Materials Data on LiBiF4 by Materials Project

description: BiLiF4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li1+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All Li–F bond lengths are 1.94 Å. Bi3+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. There are four shorter (2.36 Å) and four longer (2.42 Å) Bi–F bond lengths. F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1202668
title: Materials Data on Rb3CuO2 by Materials Project

description: Rb3CuO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–2.97 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.10 Å. In the third Rb1+ site, Rb1+ is bonded to four O2- atoms to form corner-sharing RbO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.86–2.99 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Cu1+ atom.
DOI: 10.17188/1202669
title: Materials Data on NaInBr4 by Materials Project

description: NaInBr4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Na–Br bond distances ranging from 2.99–3.44 Å. In3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.55 Å) and one longer (2.57 Å) In–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one Na1+ and one In3+ atom. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to one Na1+ and one In3+ atom.
DOI: 10.17188/1202670
title: Materials Data on ScN by Materials Project

description: ScN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing ScN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–N bond lengths are 2.26 Å. N3- is bonded to six equivalent Sc3+ atoms to form a mixture of edge and corner-sharing NSc6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1202671
title: Materials Data on NaInI4 by Materials Project

description: NaInI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with two equivalent NaI6 octahedra, corners with two equivalent InI4 tetrahedra, an edgeedge with one NaI6 octahedra, and edges with two equivalent InI4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Na–I bond distances ranging from 3.22–3.45 Å. In3+ is bonded to four I1- atoms to form InI4 tetrahedra that share corners with two equivalent NaI6 octahedra and edges with two equivalent NaI6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are a spread of In–I bond distances ranging from 2.74–2.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Na1+ and one In3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a bent 120 degrees geometry to one Na1+ and one In3+ atom.
DOI: 10.17188/1202672
title: Materials Data on La2Br5 by Materials Project

description: La2Br5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent La+2.50+ sites. In the first La+2.50+ site, La+2.50+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of La–Br bond distances ranging from 3.06–3.56 Å. In the second La+2.50+ site, La+2.50+ is bonded to seven Br1- atoms to form distorted edge-sharing LaBr7 pentagonal bipyramids. There are a spread of La–Br bond distances ranging from 3.03–3.16 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three La+2.50+ atoms. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the third Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La+2.50+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted T-shaped geometry to three La+2.50+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted L-shaped geometry to three La+2.50+ atoms.
DOI: 10.17188/1202673
title: Materials Data on LaBr2 by Materials Project

description: LaBr2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two LaBr2 sheets oriented in the (0, 0, 1) direction. La2+ is bonded to six equivalent Br1- atoms to form distorted edge-sharing LaBr6 pentagonal pyramids. All La–Br bond lengths are 3.07 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent La2+ atoms.
DOI: 10.17188/1202674
title: Materials Data on KPbO2 by Materials Project

description: KPbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.16–2.78 Å. In the second K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.19–3.10 Å. In the third K site, K is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.17–2.78 Å. In the fourth K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.18–3.11 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In the second Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Pb–O bond distances ranging from 1.86–2.52 Å. In the third Pb site, Pb is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 1.83–2.79 Å. In the fourth Pb site, Pb is bonded in a 2-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 1.83–2.79 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one K and two Pb atoms. In the second O site, O is bonded in a 4-coordinate geometry to three K and one Pb atom. In the third O site, O is bonded in a 4-coordinate geometry to one K and three Pb atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to three K and one Pb atom. In the fifth O site, O is bonded in a 2-coordinate geometry to three K and two Pb atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to three K and two Pb atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one K and two Pb atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to one K and three Pb atoms.
DOI: 10.17188/1202675
title: Materials Data on W(S4Cl3)2 by Materials Project

description: WCl6(S)8 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two octasulfur molecules and two tungsten(vi) chloride molecules.
DOI: 10.17188/1202676
title: Materials Data on RbBrF4 by Materials Project

description: RbBrF4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of two RbBrF4 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a distorted body-centered cubic geometry to eight equivalent F atoms. All Rb–F bond lengths are 3.06 Å. Br is bonded in a square co-planar geometry to four equivalent F atoms. All Br–F bond lengths are 1.93 Å. F is bonded in a 1-coordinate geometry to two equivalent Rb and one Br atom.