cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199004
title: Materials Data on SnP2PbO8 by Materials Project

description: PbSnP2O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.30 Å) and one longer (2.43 Å) Pb–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.04–2.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one P5+ atom.
DOI: 10.17188/1199005
title: Materials Data on KNb8O14 by Materials Project

description: KNb8O14 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with two equivalent KO12 cuboctahedra, corners with four equivalent NbO5 square pyramids, edges with six NbO5 square pyramids, faces with four equivalent NbO6 octahedra, and faces with two equivalent NbO5 square pyramids. There are a spread of K–O bond distances ranging from 2.85–2.99 Å. There are three inequivalent Nb+3.38+ sites. In the first Nb+3.38+ site, Nb+3.38+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with four equivalent NbO6 octahedra, corners with six equivalent NbO5 square pyramids, an edgeedge with one KO12 cuboctahedra, and a faceface with one KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–43°. There are a spread of Nb–O bond distances ranging from 2.11–2.19 Å. In the second Nb+3.38+ site, Nb+3.38+ is bonded to six O2- atoms to form NbO6 octahedra that share a cornercorner with one NbO6 octahedra, corners with six NbO5 square pyramids, edges with two equivalent NbO5 square pyramids, and faces with two equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Nb–O bond distances ranging from 2.00–2.09 Å. In the third Nb+3.38+ site, Nb+3.38+ is bonded to five O2- atoms to form NbO5 square pyramids that share a cornercorner with one KO12 cuboctahedra, a cornercorner with one NbO6 octahedra, corners with six NbO5 square pyramids, an edgeedge with one KO12 cuboctahedra, an edgeedge with one NbO6 octahedra, and an edgeedge with one NbO5 square pyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of Nb–O bond distances ranging from 2.03–2.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Nb+3.38+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+3.38+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one K1+ and three Nb+3.38+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+ and two equivalent Nb+3.38+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+ and three Nb+3.38+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+ and three Nb+3.38+ atoms.
DOI: 10.17188/1199006
title: Materials Data on Er15C19 by Materials Project

description: Er15C19 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are five inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven C+2.37- atoms. There are a spread of Er–C bond distances ranging from 2.30–2.76 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven C+2.37- atoms. There are a spread of Er–C bond distances ranging from 2.30–2.75 Å. In the third Er3+ site, Er3+ is bonded to six C+2.37- atoms to form a mixture of corner and edge-sharing ErC6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Er–C bond distances ranging from 2.48–2.63 Å. In the fourth Er3+ site, Er3+ is bonded to six C+2.37- atoms to form a mixture of corner and edge-sharing ErC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are five shorter (2.57 Å) and one longer (2.60 Å) Er–C bond lengths. In the fifth Er3+ site, Er3+ is bonded to six C+2.37- atoms to form a mixture of corner and edge-sharing ErC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.50 Å) and four longer (2.58 Å) Er–C bond lengths. There are six inequivalent C+2.37- sites. In the first C+2.37- site, C+2.37- is bonded in a 6-coordinate geometry to four Er3+ and two C+2.37- atoms. Both C–C bond lengths are 1.35 Å. In the second C+2.37- site, C+2.37- is bonded to six Er3+ atoms to form a mixture of corner and edge-sharing CEr6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third C+2.37- site, C+2.37- is bonded to five Er3+ and one C+2.37- atom to form distorted CEr5C octahedra that share corners with seven CEr5C octahedra and edges with eight CEr6 octahedra. The corner-sharing octahedra tilt angles range from 1–90°. In the fourth C+2.37- site, C+2.37- is bonded to six Er3+ atoms to form CEr6 octahedra that share corners with six CEr6 octahedra and edges with twelve CEr5C octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fifth C+2.37- site, C+2.37- is bonded to six Er3+ atoms to form CEr6 octahedra that share corners with ten CEr6 octahedra and edges with eight CEr5C octahedra. The corner-sharing octahedra tilt angles range from 0–91°. In the sixth C+2.37- site, C+2.37- is bonded to five Er3+ and one C+2.37- atom to form distorted CEr5C octahedra that share corners with seven CEr5C octahedra and edges with eight CEr6 octahedra. The corner-sharing octahedra tilt angles range from 2–91°.
DOI: 10.17188/1199007
title: Materials Data on Eu2Ge2O7 by Materials Project

description: Eu2Ge2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra, edges with five equivalent EuO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.31–2.68 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent EuO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one EuO7 pentagonal bipyramid. There is two shorter (1.76 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Eu3+ and one Ge4+ atom.
DOI: 10.17188/1199008
title: Materials Data on ZrCo by Materials Project

description: ZrCo is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Zr–Co bond lengths are 2.77 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1199009
title: Materials Data on DySi3Rh5 by Materials Project

description: DyRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.07 Å) and four longer (3.12 Å) Dy–Rh bond lengths. There are a spread of Dy–Si bond distances ranging from 3.07–3.10 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.49 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.49 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.49 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and four longer (2.52 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Dy and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Dy and seven Rh atoms.
DOI: 10.17188/1199010
title: Materials Data on AgF2 by Materials Project

description: AgF2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ag2+ is bonded to six equivalent F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 45–70°. There are four shorter (2.12 Å) and two longer (2.75 Å) Ag–F bond lengths. F1- is bonded in a 3-coordinate geometry to three equivalent Ag2+ atoms.
DOI: 10.17188/1199011
title: Materials Data on Ba2In2S5 by Materials Project

description: Ba2In2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.84 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.14–3.83 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.43–2.55 Å. In the second In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.45–2.54 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to three Ba2+ and two In3+ atoms. In the second S2- site, S2- is bonded to four Ba2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing SBa4In trigonal bipyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Ba2+ and two In3+ atoms. In the fourth S2- site, S2- is bonded to four Ba2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing SBa4In trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Ba2+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing SBa3In2 trigonal bipyramids.
DOI: 10.17188/1199012
title: Materials Data on In5S4 by Materials Project

description: In5S4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight indium molecules and one InS framework. In the InS framework, there are two inequivalent In+1.60+ sites. In the first In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All In–S bond lengths are 2.58 Å. In the second In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+1.60+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In+1.60+ atoms.
DOI: 10.17188/1199013
title: Materials Data on Cl2 by Materials Project

description: Cl2 is Cubic alpha N2-like structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four chlorine molecules. Cl is bonded in a single-bond geometry to one Cl atom. The Cl–Cl bond length is 2.01 Å.
DOI: 10.17188/1199014
title: Materials Data on BiI3 by Materials Project

description: BiI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three BiI3 sheets oriented in the (0, 0, 1) direction. Bi3+ is bonded to six equivalent I1- atoms to form edge-sharing BiI6 octahedra. There are three shorter (3.10 Å) and three longer (3.13 Å) Bi–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.
DOI: 10.17188/1199015
title: Materials Data on Te2Ir by Materials Project

description: IrTe2 is Calaverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 0, 1) direction. Ir4+ is bonded to six equivalent Te2- atoms to form edge-sharing IrTe6 octahedra. All Ir–Te bond lengths are 2.68 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms.
DOI: 10.17188/1199016
title: Materials Data on RuCl3 by Materials Project

description: RuCl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one RuCl3 ribbon oriented in the (0, 0, 1) direction. Ru3+ is bonded to six equivalent Cl1- atoms to form face-sharing RuCl6 octahedra. All Ru–Cl bond lengths are 2.37 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms.
DOI: 10.17188/1199017
title: Materials Data on NaCl by Materials Project

description: NaCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Na–Cl bond lengths are 3.03 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
DOI: 10.17188/1199018
title: Materials Data on MoCl3 by Materials Project

description: MoCl3 is Aluminum trichloride structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MoCl3 sheet oriented in the (0, 0, 1) direction. Mo3+ is bonded to six Cl1- atoms to form edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.40–2.50 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo3+ atoms.
DOI: 10.17188/1199019
title: Materials Data on Pr2I5 by Materials Project

description: Pr2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pr2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to seven I atoms to form a mixture of distorted edge and face-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.23–3.37 Å. In the second Pr site, Pr is bonded to seven I atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.18–3.45 Å. There are five inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Pr atoms. In the second I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms.
DOI: 10.17188/1199020
title: Materials Data on HgCl2 by Materials Project

description: HgCl2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four mercuric chloride molecules. Hg2+ is bonded in a distorted linear geometry to two Cl1- atoms. Both Hg–Cl bond lengths are 2.32 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ atom.
DOI: 10.17188/1199021
title: Materials Data on Bi2S3 by Materials Project

description: Bi2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Bi–S bond distances ranging from 2.70–3.08 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Bi–S bond distances ranging from 2.63–3.43 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Bi3+ atoms to form distorted edge-sharing SBi5 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Bi3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Bi3+ atoms.
DOI: 10.17188/1199022
title: Materials Data on CrCl2 by Materials Project

description: CrCl2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CrCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.38 Å) and two longer (3.07 Å) Cr–Cl bond lengths. Cl1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms.
DOI: 10.17188/1199023
title: Materials Data on TlI by Materials Project

description: TlI crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to seven equivalent I1- atoms. There are a spread of Tl–I bond distances ranging from 3.39–4.06 Å. I1- is bonded in a 5-coordinate geometry to seven equivalent Tl1+ atoms.
DOI: 10.17188/1199024
title: Materials Data on HgI by Materials Project

description: HgI crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg1+ is bonded to one Hg1+ and five equivalent I1- atoms to form a mixture of distorted edge and corner-sharing HgHgI5 octahedra. The corner-sharing octahedral tilt angles are 15°. The Hg–Hg bond length is 2.67 Å. There are one shorter (2.77 Å) and four longer (3.70 Å) Hg–I bond lengths. I1- is bonded in a 1-coordinate geometry to five equivalent Hg1+ atoms.
DOI: 10.17188/1199025
title: Materials Data on Li2Se by Materials Project

description: Li2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing LiSe4 tetrahedra. All Li–Se bond lengths are 2.61 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.
DOI: 10.17188/1199026
title: Materials Data on LaI by Materials Project

description: LaI is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent I atoms. All La–I bond lengths are 3.35 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.
DOI: 10.17188/1199027
title: Materials Data on NiBi by Materials Project

description: NiBi is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing NiBi6 pentagonal pyramids. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded to six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing BiNi6 octahedra. The corner-sharing octahedral tilt angles are 44°.
DOI: 10.17188/1199029
title: Materials Data on CuI by Materials Project

description: CuI is lead oxide structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuI sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded to four equivalent I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. All Cu–I bond lengths are 2.67 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms.
DOI: 10.17188/1199030
title: Materials Data on Bi2Pt by Materials Project

description: Bi2Pt is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Bi1+ atoms to form corner-sharing PtBi6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Pt–Bi bond lengths are 2.82 Å. Bi1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.
DOI: 10.17188/1199031
title: Materials Data on CsCl by Materials Project

description: CsCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. All Cs–Cl bond lengths are 3.65 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.
DOI: 10.17188/1199032
title: Materials Data on HoBi by Materials Project

description: HoBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded to six equivalent Bi atoms to form a mixture of corner and edge-sharing HoBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Bi bond lengths are 3.15 Å. Bi is bonded to six equivalent Ho atoms to form a mixture of corner and edge-sharing BiHo6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199033
title: Materials Data on RbBr by Materials Project

description: RbBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing RbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.51 Å. Br1- is bonded to six equivalent Rb1+ atoms to form a mixture of edge and corner-sharing BrRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199034
title: Materials Data on BiRh by Materials Project

description: RhBi is alpha-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded in a 12-coordinate geometry to six equivalent Bi atoms. All Rh–Bi bond lengths are 2.87 Å. Bi is bonded in a 12-coordinate geometry to six equivalent Rh atoms.