cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1199361
title: Materials Data on ErBi by Materials Project

description: ErBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing ErBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Bi bond lengths are 3.15 Å. Bi is bonded to six equivalent Er atoms to form a mixture of edge and corner-sharing BiEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199362
title: Materials Data on ZrBr3 by Materials Project

description: ZrBr3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrBr3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Br1- atoms to form face-sharing ZrBr6 octahedra. All Zr–Br bond lengths are 2.72 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1199363
title: Materials Data on UCl6 by Materials Project

description: UCl6 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of three hexachlorouranium molecules. U6+ is bonded in an octahedral geometry to six Cl1- atoms. All U–Cl bond lengths are 2.47 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one U6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1199364
title: Materials Data on KBr by Materials Project

description: KBr 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 Br1- atoms to form a mixture of edge and corner-sharing KBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.35 Å. Br1- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing BrK6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199365
title: Materials Data on Ce4Bi3 by Materials Project

description: Ce4Bi3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded to six equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing CeBi6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.27 Å) and three longer (3.46 Å) Ce–Bi bond lengths. Bi is bonded to eight equivalent Ce atoms to form a mixture of distorted edge, corner, and face-sharing BiCe8 hexagonal bipyramids.
DOI: 10.17188/1199366
title: Materials Data on RbBi2 by Materials Project

description: Bi2Rb is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Bi atoms. All Rb–Bi bond lengths are 4.03 Å. Bi is bonded to six equivalent Rb and six equivalent Bi atoms to form a mixture of corner, edge, and face-sharing BiRb6Bi6 cuboctahedra. All Bi–Bi bond lengths are 3.43 Å.
DOI: 10.17188/1199367
title: Materials Data on UBr3 by Materials Project

description: UBr3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U3+ is bonded in a 9-coordinate geometry to nine equivalent Br1- atoms. There are six shorter (3.07 Å) and three longer (3.17 Å) U–Br bond lengths. Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U3+ atoms.
DOI: 10.17188/1199368
title: Materials Data on BCl by Materials Project

description: BCl crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of thirty-two chloroborane molecules. B is bonded in a distorted single-bond geometry to one Cl atom. The B–Cl bond length is 1.73 Å. Cl is bonded in a single-bond geometry to one B atom.
DOI: 10.17188/1199369
title: Materials Data on IF5 by Materials Project

description: IF5 is beta-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twenty IF5 clusters. I5+ is bonded in a square pyramidal geometry to five F1- atoms. There is one shorter (1.85 Å) and four longer (1.93 Å) I–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.
DOI: 10.17188/1199370
title: Materials Data on LiBr by Materials Project

description: LiBr 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 Br1- atoms to form a mixture of corner and edge-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Br bond lengths are 2.76 Å. Br1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing BrLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199371
title: Materials Data on BaI2 by Materials Project

description: BaI2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Ba–I bond distances ranging from 3.52–4.18 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing IBa4 tetrahedra. In the second I1- site, I1- is bonded in a 3-coordinate geometry to five equivalent Ba2+ atoms.
DOI: 10.17188/1199372
title: Materials Data on I2O5 by Materials Project

description: I2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two I5+ atoms. There is one shorter (1.95 Å) and one longer (2.00 Å) O–I bond length. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.79 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.43 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.80 Å) and one longer (2.56 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent I5+ atoms. There are one shorter (1.87 Å) and one longer (2.27 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to five O2- atoms to form distorted corner-sharing IO5 square pyramids. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to four O2- atoms.
DOI: 10.17188/1199373
title: Materials Data on Bi2O3 by Materials Project

description: Bi2O3 crystallizes in the monoclinic P2_1/c 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 O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.81 Å. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.17–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form corner-sharing OBi4 tetrahedra.
DOI: 10.17188/1199374
title: Materials Data on LaBr3 by Materials Project

description: LaBr3 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 Br1- atoms. There are six shorter (3.11 Å) and three longer (3.21 Å) La–Br bond lengths. Br1- is bonded in a trigonal non-coplanar geometry to three equivalent La3+ atoms.
DOI: 10.17188/1199375
title: Materials Data on TiI3 by Materials Project

description: TiI3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TiI3 ribbons oriented in the (1, 0, 0) direction. Ti3+ is bonded to six I1- atoms to form face-sharing TiI6 octahedra. There are a spread of Ti–I bond distances ranging from 2.75–2.87 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ti3+ atoms. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent Ti3+ atoms.
DOI: 10.17188/1199376
title: Materials Data on GdCl3 by Materials Project

description: GdCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.82 Å) and three longer (3.00 Å) Gd–Cl bond lengths. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Gd3+ atoms.
DOI: 10.17188/1199377
title: Materials Data on GeI4 by Materials Project

description: GeI4 is Iron carbide-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight germanium tetraiodide molecules. Ge4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.54 Å) and three longer (2.55 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ge4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ge4+ atom.
DOI: 10.17188/1199378
title: Materials Data on BeCl2 by Materials Project

description: BeCl2 is Silicon Disuphide structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two BeCl2 ribbons oriented in the (1, 0, 0) direction. Be2+ is bonded to four equivalent Cl1- atoms to form edge-sharing BeCl4 tetrahedra. All Be–Cl bond lengths are 2.04 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Be2+ atoms.
DOI: 10.17188/1199379
title: Materials Data on NaI by Materials Project

description: NaI 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 I1- atoms to form a mixture of edge and corner-sharing NaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–I bond lengths are 3.27 Å. I1- is bonded to six equivalent Na1+ atoms to form a mixture of edge and corner-sharing INa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199380
title: Materials Data on WCl3 by Materials Project

description: WCl3 is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three WCl3 clusters. W3+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.39–2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent W3+ atoms.
DOI: 10.17188/1199381
title: Materials Data on TiZn16 by Materials Project

description: TiZn16 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to fifteen Zn atoms. There are a spread of Ti–Zn bond distances ranging from 2.78–2.97 Å. There are seven inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to one Ti and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.75–3.08 Å. In the second Zn site, Zn is bonded to two equivalent Ti and ten Zn atoms to form ZnTi2Zn10 cuboctahedra that share corners with two equivalent ZnTi2Zn10 cuboctahedra and faces with six equivalent ZnZn12 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–2.83 Å. In the third Zn site, Zn is bonded in a 9-coordinate geometry to one Ti and twelve Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.52–3.13 Å. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to one Ti and eleven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–3.17 Å. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to one Ti and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.87 Å. In the sixth Zn site, Zn is bonded in a 10-coordinate geometry to one Ti and eleven Zn atoms. There are one shorter (2.55 Å) and one longer (2.67 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded to twelve Zn atoms to form distorted ZnZn12 cuboctahedra that share edges with three equivalent ZnZn12 cuboctahedra and faces with four ZnTi2Zn10 cuboctahedra. The Zn–Zn bond length is 2.87 Å.
DOI: 10.17188/1199382
title: Materials Data on Th3Bi4 by Materials Project

description: Th3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Th is bonded to eight equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing ThBi8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.39 Å) Th–Bi bond lengths. Bi is bonded to six equivalent Th atoms to form a mixture of distorted corner, edge, and face-sharing BiTh6 octahedra. The corner-sharing octahedra tilt angles range from 15–51°.
DOI: 10.17188/1199383
title: Materials Data on TeI by Materials Project

description: TeI crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeI ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a distorted single-bond geometry to two Te and one I atom. There are one shorter (2.87 Å) and one longer (2.89 Å) Te–Te bond lengths. The Te–I bond length is 2.78 Å. In the second Te site, Te is bonded in a rectangular see-saw-like geometry to two Te and two I atoms. The Te–Te bond length is 2.87 Å. There are one shorter (3.23 Å) and one longer (3.26 Å) Te–I bond lengths. In the third Te site, Te is bonded in a distorted single-bond geometry to two Te and one I atom. The Te–Te bond length is 2.89 Å. The Te–I bond length is 2.78 Å. In the fourth Te site, Te is bonded in a rectangular see-saw-like geometry to two Te and two I atoms. There are one shorter (3.18 Å) and one longer (3.20 Å) Te–I bond lengths. There are four inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Te atom. In the second I site, I is bonded in a single-bond geometry to one Te atom. In the third I site, I is bonded in an L-shaped geometry to two Te atoms. In the fourth I site, I is bonded in an L-shaped geometry to two Te atoms.
DOI: 10.17188/1199384
title: Materials Data on Ta2Cl5 by Materials Project

description: Ta2Cl5 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ta is bonded to five Cl atoms to form distorted corner-sharing TaCl5 square pyramids. There are a spread of Ta–Cl bond distances ranging from 2.45–2.66 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Cl site, Cl is bonded in a bent 150 degrees geometry to two equivalent Ta atoms.
DOI: 10.17188/1199385
title: Materials Data on TiCl3 by Materials Project

description: TiCl3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three TiCl3 sheets oriented in the (0, 0, 1) direction. Ti3+ is bonded to six equivalent Cl1- atoms to form edge-sharing TiCl6 octahedra. All Ti–Cl bond lengths are 2.43 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Ti3+ atoms.
DOI: 10.17188/1199386
title: Materials Data on InCl by Materials Project

description: InCl crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.90–3.36 Å. In the second In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–2.98 Å. In the third In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.93 Å. In the fourth In1+ site, In1+ is bonded in a distorted T-shaped geometry to three equivalent Cl1- atoms. All In–Cl bond lengths are 2.94 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to four In1+ atoms. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three In1+ atoms. In the third Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent In1+ atoms.
DOI: 10.17188/1199387
title: Materials Data on NpCl3 by Materials Project

description: NpCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Np3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.91 Å) and three longer (2.93 Å) Np–Cl bond lengths. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Np3+ atoms.
DOI: 10.17188/1199388
title: Materials Data on KBi2 by Materials Project

description: KBi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve equivalent Bi atoms. All K–Bi bond lengths are 3.98 Å. Bi is bonded to six equivalent K and six equivalent Bi atoms to form a mixture of face, edge, and corner-sharing BiK6Bi6 cuboctahedra. All Bi–Bi bond lengths are 3.40 Å.
DOI: 10.17188/1199389
title: Materials Data on AsCl3 by Materials Project

description: AsCl3 is Ammonia-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four trichloroarsine molecules. As3+ is bonded in a distorted trigonal non-coplanar geometry to three Cl1- atoms. All As–Cl bond lengths are 2.21 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ atom.
DOI: 10.17188/1199390
title: Materials Data on SbI3 by Materials Project

description: SbI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three SbI3 sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to six equivalent I1- atoms to form edge-sharing SbI6 octahedra. There are three shorter (3.03 Å) and three longer (3.09 Å) Sb–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms.
DOI: 10.17188/1199391
title: Materials Data on ZrI3 by Materials Project

description: ZrI3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one ZrI3 ribbon oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent I1- atoms to form face-sharing ZrI6 octahedra. All Zr–I bond lengths are 2.93 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1199392
title: Materials Data on Sm4Bi3 by Materials Project

description: Sm4Bi3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Bi atoms. There are three shorter (3.20 Å) and three longer (3.43 Å) Sm–Bi bond lengths. Bi is bonded to eight equivalent Sm atoms to form a mixture of distorted edge, corner, and face-sharing BiSm8 hexagonal bipyramids.
DOI: 10.17188/1199393
title: Materials Data on CeBi by Materials Project

description: CeBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing CeBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Bi bond lengths are 3.26 Å. Bi is bonded to six equivalent Ce atoms to form a mixture of edge and corner-sharing BiCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1199394
title: Materials Data on CuCl by Materials Project

description: CuCl is SC16 CuCl, stable at 5GPa structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form corner-sharing CuCl4 trigonal pyramids. There are three shorter (2.33 Å) and one longer (2.53 Å) Cu–Cl bond lengths. Cl1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ClCu4 trigonal pyramids.
DOI: 10.17188/1199395
title: Materials Data on AlBr3 by Materials Project

description: AlBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two al2br6 molecules. Al3+ is bonded to four Br1- atoms to form edge-sharing AlBr4 tetrahedra. There are a spread of Al–Br bond distances ranging from 2.26–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Al3+ atoms.
DOI: 10.17188/1199396
title: Materials Data on KCl by Materials Project

description: KCl 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 Cl1- atoms. All K–Cl bond lengths are 3.32 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.
DOI: 10.17188/1199397
title: Materials Data on PtCl2 by Materials Project

description: PtCl2 is Tungsten structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three PtCl2 clusters. Pt2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. All Pt–Cl bond lengths are 2.33 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pt2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pt2+ atoms.
DOI: 10.17188/1199398
title: Materials Data on PbCl2 by Materials Project

description: PbCl2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.83–3.20 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing ClPb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.