cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199035
title: Materials Data on ClO3 by Materials Project

description: ClO3 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules and four ClO4 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. Cl is bonded in a tetrahedral geometry to four O atoms.
DOI: 10.17188/1199036
title: Materials Data on SiRh by Materials Project

description: RhSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.60 Å. Si4- is bonded in a 6-coordinate geometry to six equivalent Rh4+ atoms.
DOI: 10.17188/1199037
title: Materials Data on InBr by Materials Project

description: InBr crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two InBr sheets oriented in the (0, 1, 0) direction. In1+ is bonded to five equivalent Br1- atoms to form a mixture of edge and corner-sharing InBr5 square pyramids. There are one shorter (3.05 Å) and four longer (3.33 Å) In–Br bond lengths. Br1- is bonded to five equivalent In1+ atoms to form a mixture of edge and corner-sharing BrIn5 square pyramids.
DOI: 10.17188/1199038
title: Materials Data on ZrCl3 by Materials Project

description: ZrCl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrCl3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form face-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1199039
title: Materials Data on SbCl3 by Materials Project

description: SbCl3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four antimony trichloride molecules. Sb3+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are one shorter (2.37 Å) and two longer (2.41 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1199040
title: Materials Data on SmBi by Materials Project

description: SmBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing SmBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Bi bond lengths are 3.22 Å. Bi is bonded to six equivalent Sm atoms to form a mixture of edge and corner-sharing BiSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199041
title: Materials Data on PBr5 by Materials Project

description: PBr5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. P5+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.20 Å) and three longer (2.22 Å) P–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.14 Å. In the second Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom. The Br–Br bond length is 3.05 Å. In the third Br1- site, Br1- is bonded in a see-saw-like geometry to four Br1- atoms. The Br–Br bond length is 3.26 Å. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one P5+ and one Br1- atom.
DOI: 10.17188/1199042
title: Materials Data on TlBr by Materials Project

description: TlBr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Br1- atoms. All Tl–Br bond lengths are 3.51 Å. Br1- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
DOI: 10.17188/1199043
title: Materials Data on VCl2 by Materials Project

description: VCl2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one VCl2 sheet oriented in the (0, 0, 1) direction. V2+ is bonded to six equivalent Cl1- atoms to form edge-sharing VCl6 octahedra. All V–Cl bond lengths are 2.50 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent V2+ atoms.
DOI: 10.17188/1199044
title: Materials Data on MnBi by Materials Project

description: MnBi is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing MnBi6 pentagonal pyramids. All Mn–Bi bond lengths are 2.94 Å. Bi is bonded to six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing BiMn6 octahedra. The corner-sharing octahedral tilt angles are 48°.
DOI: 10.17188/1199045
title: Materials Data on PuBi by Materials Project

description: PuBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing PuBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–Bi bond lengths are 3.22 Å. Bi is bonded to six equivalent Pu atoms to form a mixture of edge and corner-sharing BiPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199046
title: Materials Data on PuSe by Materials Project

description: PuSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded to six equivalent Se atoms to form a mixture of edge and corner-sharing PuSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–Se bond lengths are 2.94 Å. Se is bonded to six equivalent Pu atoms to form a mixture of edge and corner-sharing SePu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199047
title: Materials Data on FeBr2 by Materials Project

description: FeBr2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one FeBr2 sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded to six equivalent Br1- atoms to form edge-sharing FeBr6 octahedra. All Fe–Br bond lengths are 2.62 Å. Br1- is bonded in a distorted T-shaped geometry to three equivalent Fe2+ atoms.
DOI: 10.17188/1199048
title: Materials Data on CdCl2 by Materials Project

description: CdCl2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three CdCl2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent Cl1- atoms to form edge-sharing CdCl6 octahedra. All Cd–Cl bond lengths are 2.68 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1199049
title: Materials Data on YbBr2 by Materials Project

description: YbBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.
DOI: 10.17188/1199050
title: Materials Data on PbI2 by Materials Project

description: PbI2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three PbI2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to six equivalent I1- atoms to form edge-sharing PbI6 octahedra. All Pb–I bond lengths are 3.28 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1199051
title: Materials Data on XeF2 by Materials Project

description: XeF2 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two XeF2 clusters. Xe is bonded in a linear geometry to two equivalent F atoms. Both Xe–F bond lengths are 2.08 Å. F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1199052
title: Materials Data on UBi by Materials Project

description: UBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing UBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Bi bond lengths are 3.18 Å. Bi is bonded to six equivalent U atoms to form a mixture of edge and corner-sharing BiU6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199053
title: Materials Data on EuCl2 by Materials Project

description: EuCl2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Eu–Cl bond distances ranging from 2.95–3.56 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing ClEu4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to five equivalent Eu2+ atoms.
DOI: 10.17188/1199054
title: Materials Data on CaBr2 by Materials Project

description: CaBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.92 Å) and two longer (2.94 Å) Ca–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1199055
title: Materials Data on ZnCl2 by Materials Project

description: ZnCl2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Zn2+ is bonded to four Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. There are three shorter (2.30 Å) and one longer (2.31 Å) Zn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms.
DOI: 10.17188/1199056
title: Materials Data on CeAl4 by Materials Project

description: CeAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.25 Å) and eight longer (3.54 Å) Ce–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ce and eight Al atoms to form a mixture of edge, face, and corner-sharing AlCe4Al8 cuboctahedra. There are four shorter (2.64 Å) and four longer (3.00 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. The Al–Al bond length is 2.51 Å.
DOI: 10.17188/1199057
title: Materials Data on RuBr3 by Materials Project

description: RuBr3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one RuBr3 ribbon oriented in the (0, 0, 1) direction. Ru3+ is bonded to six equivalent Br1- atoms to form face-sharing RuBr6 octahedra. All Ru–Br bond lengths are 2.52 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms.
DOI: 10.17188/1199058
title: Materials Data on PbI2 by Materials Project

description: PbI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one PbI2 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to six equivalent I1- atoms to form edge-sharing PbI6 octahedra. All Pb–I bond lengths are 3.28 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1199059
title: Materials Data on AgI by Materials Project

description: AgI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent I1- atoms to form corner-sharing AgI4 tetrahedra. There are three shorter (2.87 Å) and one longer (2.89 Å) Ag–I bond lengths. I1- is bonded to four equivalent Ag1+ atoms to form corner-sharing IAg4 tetrahedra.
DOI: 10.17188/1199060
title: Materials Data on CuI by Materials Project

description: CuI is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.61 Å) and three longer (2.62 Å) Cu–I bond lengths. I1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ICu4 tetrahedra.
DOI: 10.17188/1199061
title: Materials Data on LaCl3 by Materials Project

description: LaCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.96 Å) and three longer (3.00 Å) La–Cl bond lengths. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent La3+ atoms.
DOI: 10.17188/1199062
title: Materials Data on HgCl by Materials Project

description: HgCl is BCT5 structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of four mercury chloride molecules. Hg1+ is bonded in a distorted single-bond geometry to one Cl1- atom. The Hg–Cl bond length is 2.44 Å. Cl1- is bonded in a distorted single-bond geometry to one Hg1+ atom.
DOI: 10.17188/1199063
title: Materials Data on KI by Materials Project

description: IK1 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent I1- atoms to form a mixture of edge and corner-sharing KI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.59 Å. I1- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing IK6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199064
title: Materials Data on LiI by Materials Project

description: LiI is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form a mixture of corner and edge-sharing LiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 3.01 Å. I1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing ILi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199065
title: Materials Data on ZrRh3 by Materials Project

description: Rh3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing ZrRh12 cuboctahedra. All Zr–Rh bond lengths are 2.81 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Zr atoms.
DOI: 10.17188/1199066
title: Materials Data on NdRh2 by Materials Project

description: NdRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Nd–Rh bond lengths are 3.18 Å. Rh is bonded to six equivalent Nd and six equivalent Rh atoms to form a mixture of corner, edge, and face-sharing RhNd6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.71 Å.
DOI: 10.17188/1199067
title: Materials Data on KI by Materials Project

description: IK1 is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All K–I bond lengths are 3.76 Å. I1- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.
DOI: 10.17188/1199068
title: Materials Data on LiBi by Materials Project

description: LiBi is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All Li–Bi bond lengths are 3.20 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1199069
title: Materials Data on RbI by Materials Project

description: RbI 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 I1- atoms to form a mixture of corner and edge-sharing RbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–I bond lengths are 3.74 Å. I1- is bonded to six equivalent Rb1+ atoms to form a mixture of corner and edge-sharing IRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199070
title: Materials Data on CaCl2 by Materials Project

description: CaCl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing CaCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are four shorter (2.76 Å) and two longer (2.77 Å) Ca–Cl bond lengths. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1199071
title: Materials Data on LiCl by Materials Project

description: LiCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.58 Å. Cl1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing ClLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199072
title: Materials Data on CsBr by Materials Project

description: CsBr 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 Br1- atoms. All Cs–Br bond lengths are 3.80 Å. Br1- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.
DOI: 10.17188/1199073
title: Materials Data on DyBi by Materials Project

description: DyBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing DyBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Bi bond lengths are 3.17 Å. Bi is bonded to six equivalent Dy atoms to form a mixture of edge and corner-sharing BiDy6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199074
title: Materials Data on BiCl3 by Materials Project

description: BiCl3 is Cementite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Bi3+ is bonded to six Cl1- atoms to form a mixture of distorted corner and edge-sharing BiCl6 pentagonal pyramids. There are a spread of Bi–Cl bond distances ranging from 2.49–3.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms.
DOI: 10.17188/1199075
title: Materials Data on ZnCl2 by Materials Project

description: ZnCl2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Cl1- atoms to form corner-sharing ZnCl4 tetrahedra. All Zn–Cl bond lengths are 2.30 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms.
DOI: 10.17188/1199076
title: Materials Data on Si2Ni by Materials Project

description: NiSi2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ni–Si bond lengths are 2.35 Å. Si is bonded to four equivalent Ni and six equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing SiSi6Ni4 tetrahedra. All Si–Si bond lengths are 2.72 Å.
DOI: 10.17188/1199077
title: Materials Data on NpBi by Materials Project

description: NpBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing NpBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–Bi bond lengths are 3.19 Å. Bi is bonded to six equivalent Np atoms to form a mixture of edge and corner-sharing BiNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199078
title: Materials Data on CuBr by Materials Project

description: CuBr is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Br1- atoms to form corner-sharing CuBr4 tetrahedra. All Cu–Br bond lengths are 2.47 Å. Br1- is bonded to four equivalent Cu1+ atoms to form corner-sharing BrCu4 tetrahedra.
DOI: 10.17188/1199079
title: Materials Data on CuCl by Materials Project

description: CuCl is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form corner-sharing CuCl4 tetrahedra. All Cu–Cl bond lengths are 2.34 Å. Cl1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ClCu4 tetrahedra.
DOI: 10.17188/1199080
title: Materials Data on AgI by Materials Project

description: AgI is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Ag–I bond lengths are 3.34 Å. I1- is bonded in a body-centered cubic geometry to eight equivalent Ag1+ atoms.
DOI: 10.17188/1199081
title: Materials Data on NaBr by Materials Project

description: NaBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing NaBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 3.01 Å. Br1- is bonded to six equivalent Na1+ atoms to form a mixture of corner and edge-sharing BrNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.