cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1355359
title: Materials Data on Tm(TiGa2)2 by Materials Project

description: Tm(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.88 Å) and eight longer (3.31 Å) Tm–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.79 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. There are two shorter (2.67 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. The Ga–Ga bond length is 2.67 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. The Ga–Ga bond length is 2.67 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. There are two shorter (2.67 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. The Ga–Ga bond length is 2.67 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.89 Å. In the seventh Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tm, four equivalent Ti, and four Ga atoms.
DOI: 10.17188/1355360
title: Materials Data on LaCuPb by Materials Project

description: LaCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Pb atoms. There are three shorter (3.16 Å) and three longer (3.63 Å) La–Cu bond lengths. There are three shorter (3.29 Å) and three longer (3.48 Å) La–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Pb atoms. There are three shorter (2.80 Å) and one longer (3.39 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Cu atoms.
DOI: 10.17188/1355361
title: Materials Data on Cs2CuF4 by Materials Project

description: Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.15 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.94–2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1355362
title: Materials Data on ThSi2Ru3 by Materials Project

description: ThRu3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve equivalent Ru and six equivalent Si atoms. All Th–Ru bond lengths are 3.35 Å. All Th–Si bond lengths are 3.26 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent Si atoms. All Ru–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Ru atoms.
DOI: 10.17188/1355363
title: Materials Data on Si2NiSe4 by Materials Project

description: NiSi2Se4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ni2+ is bonded to six Se+0.50- atoms to form NiSe6 octahedra that share corners with twelve equivalent SiSe6 octahedra, edges with two equivalent NiSe6 octahedra, and faces with two equivalent SiSe6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are four shorter (2.41 Å) and two longer (2.91 Å) Ni–Se bond lengths. Si is bonded to six Se+0.50- atoms to form SiSe6 octahedra that share corners with six equivalent NiSe6 octahedra, edges with six equivalent SiSe6 octahedra, and a faceface with one NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of Si–Se bond distances ranging from 2.46–2.72 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 5-coordinate geometry to two equivalent Ni2+ and three equivalent Si atoms. In the second Se+0.50- site, Se+0.50- is bonded in a distorted rectangular see-saw-like geometry to one Ni2+ and three equivalent Si atoms.
DOI: 10.17188/1355364
title: Materials Data on Tl2CuF4 by Materials Project

description: Tl2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.96 Å) and four longer (2.10 Å) Cu–F bond lengths. Tl1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.89–2.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cu2+ and five equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1355365
title: Materials Data on ErGa2Ni by Materials Project

description: ErNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (2.97 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 2.97–3.24 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ga atoms. There are two shorter (2.48 Å) and four longer (2.53 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to five equivalent Er and three equivalent Ni atoms.
DOI: 10.17188/1355366
title: Materials Data on ReGe2 by Materials Project

description: ReGe2 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.58–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Re and three equivalent Ge atoms. There are one shorter (2.49 Å) and two longer (2.73 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five equivalent Re atoms.
DOI: 10.17188/1355367
title: Materials Data on EuSi2Ni by Materials Project

description: EuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Eu–Ni bond lengths are 3.14 Å. There are a spread of Eu–Si bond distances ranging from 3.09–3.22 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Eu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.30–2.37 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.44 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Ni atoms.
DOI: 10.17188/1355368
title: Materials Data on TbGe3 by Materials Project

description: TbGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.97–3.27 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five equivalent Ge atoms. There are one shorter (2.50 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five equivalent Ge atoms.
DOI: 10.17188/1355369
title: Materials Data on Zr2TlC by Materials Project

description: Zr2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Zr–Tl bond lengths are 3.22 Å. All Zr–C bond lengths are 2.31 Å. Tl is bonded to six equivalent Zr and six equivalent Tl atoms to form distorted TlZr6Tl6 cuboctahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, corners with six equivalent CZr6 octahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent CZr6 octahedra, and faces with six equivalent TlZr6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All Tl–Tl bond lengths are 3.39 Å. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, and edges with six equivalent CZr6 octahedra.
DOI: 10.17188/1355370
title: Materials Data on LaAg2 by Materials Project

description: LaAg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Ag atoms. There are a spread of La–Ag bond distances ranging from 3.30–3.46 Å. Ag is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.81–3.02 Å.
DOI: 10.17188/1355371
title: Materials Data on Gd2C(NO)2 by Materials Project

description: Gd2O2CN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Gd–N bond lengths are 2.61 Å. There are three shorter (2.28 Å) and one longer (2.33 Å) Gd–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Gd3+ and one C4+ atom. O2- is bonded to four equivalent Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.
DOI: 10.17188/1355372
title: Materials Data on Fe(CoSe2)2 by Materials Project

description: Fe(CoSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Fe3+ is bonded to six Se2- atoms to form FeSe6 octahedra that share corners with twelve equivalent CoSe6 octahedra, edges with two equivalent FeSe6 octahedra, and faces with two equivalent CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are two shorter (2.45 Å) and four longer (2.50 Å) Fe–Se bond lengths. Co+2.50+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with six equivalent FeSe6 octahedra, edges with six equivalent CoSe6 octahedra, and a faceface with one FeSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Co–Se bond distances ranging from 2.35–2.48 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Fe3+ and three equivalent Co+2.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one Fe3+ and three equivalent Co+2.50+ atoms.
DOI: 10.17188/1355373
title: Materials Data on Sm2Re2Si2C by Materials Project

description: Sm2Re2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Sm–Si bond distances ranging from 3.09–3.17 Å. Both Sm–C bond lengths are 2.69 Å. Re3+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.47 Å) and one longer (2.48 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm3+, three equivalent Re3+, and one Si4- atom. The Si–Si bond length is 2.65 Å. C4- is bonded to four equivalent Sm3+ and two equivalent Re3+ atoms to form edge-sharing CSm4Re2 octahedra.
DOI: 10.17188/1355374
title: Materials Data on Nb2VSe4 by Materials Project

description: Nb2VSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb2+ is bonded to six Se2- atoms to form distorted NbSe6 octahedra that share corners with six equivalent VSe6 octahedra, edges with six equivalent NbSe6 octahedra, and a faceface with one VSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of Nb–Se bond distances ranging from 2.58–2.87 Å. V4+ is bonded to six Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent NbSe6 octahedra, edges with two equivalent VSe6 octahedra, and faces with two equivalent NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are two shorter (2.56 Å) and four longer (2.63 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Nb2+ and one V4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Nb2+ and two equivalent V4+ atoms.
DOI: 10.17188/1355375
title: Materials Data on SnPPd5 by Materials Project

description: Pd5SnP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Sn, and two equivalent P atoms. There are a spread of Pd–Pd bond distances ranging from 2.82–2.91 Å. Both Pd–Sn bond lengths are 2.91 Å. Both Pd–P bond lengths are 2.45 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Sn atoms to form distorted PdSn4Pd8 cuboctahedra that share corners with four equivalent PdSn4Pd8 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. All Pd–Sn bond lengths are 2.83 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with four equivalent SnPd12 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355376
title: Materials Data on UTl2O4 by Materials Project

description: Tl2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.19 Å) U–O bond lengths. Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent U6+ and four equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and five equivalent Tl1+ atoms.
DOI: 10.17188/1355377
title: Materials Data on CdPd5Se by Materials Project

description: Pd5CdSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Cd, and two equivalent Se atoms. Both Pd–Pd bond lengths are 2.88 Å. Both Pd–Cd bond lengths are 2.88 Å. Both Pd–Se bond lengths are 2.55 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. All Pd–Cd bond lengths are 2.88 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. Se is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355378
title: Materials Data on NbCl2O by Materials Project

description: NbOCl2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOCl2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded to two equivalent O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing NbCl4O2 octahedra. The corner-sharing octahedral tilt angles are 3°. There is one shorter (1.83 Å) and one longer (2.14 Å) Nb–O bond length. There are a spread of Nb–Cl bond distances ranging from 2.46–2.55 Å. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Nb4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms.
DOI: 10.17188/1355379
title: Materials Data on NpF5 by Materials Project

description: NpF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two NpF5 ribbons oriented in the (0, 0, 1) direction. Np5+ is bonded to six F1- atoms to form corner-sharing NpF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.02 Å) and two longer (2.25 Å) Np–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Np5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Np5+ atoms.
DOI: 10.17188/1355380
title: Materials Data on TlPd5Se by Materials Project

description: Pd5TlSe crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Tl, and two equivalent Se atoms. Both Pd–Pd bond lengths are 2.91 Å. Both Pd–Tl bond lengths are 2.91 Å. Both Pd–Se bond lengths are 2.57 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd8 cuboctahedra that share corners with four equivalent PdTl4Pd8 cuboctahedra, faces with four equivalent PdTl4Pd8 cuboctahedra, and faces with four equivalent TlPd12 cuboctahedra. All Pd–Tl bond lengths are 2.90 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with four equivalent TlPd12 cuboctahedra, faces with four equivalent PdTl4Pd8 cuboctahedra, and faces with four equivalent TlPd12 cuboctahedra. Se is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1355381
title: Materials Data on Nd2PdO4 by Materials Project

description: Nd2PdO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.21–2.90 Å. Pd2+ is bonded to six O2- atoms to form corner-sharing PdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.47 Å) Pd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ and two equivalent Pd2+ atoms to form a mixture of distorted edge, corner, and face-sharing ONd4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Nd3+ and one Pd2+ atom.
DOI: 10.17188/1355382
title: Materials Data on HfGa5Co by Materials Project

description: HfCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Ga atoms to form HfGa12 cuboctahedra that share corners with four equivalent HfGa12 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with four equivalent GaHf4Ga8 cuboctahedra. There are eight shorter (2.89 Å) and four longer (2.93 Å) Hf–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.45 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Hf, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.93 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Hf, two equivalent Co, and seven Ga atoms. There are two shorter (2.89 Å) and four longer (2.93 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Hf, two equivalent Co, and seven Ga atoms. There are one shorter (2.61 Å) and two longer (2.89 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded to four equivalent Hf and eight Ga atoms to form GaHf4Ga8 cuboctahedra that share corners with four equivalent GaHf4Ga8 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with four equivalent GaHf4Ga8 cuboctahedra.
DOI: 10.17188/1355383
title: Materials Data on HgPPt5 by Materials Project

description: Pt5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to eight equivalent Pt+1.20- and four equivalent Hg1+ atoms. All Pt–Pt bond lengths are 2.96 Å. All Pt–Hg bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Hg1+, and two equivalent P5+ atoms. There are four shorter (2.82 Å) and one longer (2.85 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.96 Å. Both Pt–P bond lengths are 2.45 Å. Hg1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing HgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.