cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1307926
title: Materials Data on WN2 by Materials Project

description: WN2 is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. W6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. There are six shorter (2.11 Å) and two longer (2.26 Å) W–N bond lengths. N3- is bonded to four equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NW4 tetrahedra.
DOI: 10.17188/1307927
title: Materials Data on BaPt5 by Materials Project

description: BaPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to eighteen Pt+0.40- atoms. There are six shorter (3.25 Å) and twelve longer (3.56 Å) Ba–Pt bond lengths. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to three equivalent Ba2+ and six equivalent Pt+0.40- atoms. All Pt–Pt bond lengths are 2.72 Å. In the second Pt+0.40- site, Pt+0.40- is bonded to four equivalent Ba2+ and eight Pt+0.40- atoms to form a mixture of edge, corner, and face-sharing PtBa4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.82 Å.
DOI: 10.17188/1307928
title: Materials Data on Rb(MoS)3 by Materials Project

description: Rb(MoS)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine equivalent S atoms. There are three shorter (3.57 Å) and six longer (3.61 Å) Rb–S bond lengths. Mo is bonded in a distorted see-saw-like geometry to four equivalent S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.60 Å. S is bonded in a 7-coordinate geometry to three equivalent Rb and four equivalent Mo atoms.
DOI: 10.17188/1307929
title: Materials Data on PrCuSi by Materials Project

description: PrCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing PrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Pr–Si bond lengths are 3.16 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.44 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1307930
title: Materials Data on ErCuSi by Materials Project

description: ErCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Si4- atoms to form a mixture of face, edge, and corner-sharing ErSi6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Er–Si bond lengths are 3.01 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Er3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1307931
title: Materials Data on TmCuSi by Materials Project

description: TmCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing TmSi6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tm–Si bond lengths are 3.00 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Tm3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1307932
title: Materials Data on LuCuSi by Materials Project

description: LuCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LuSi6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Lu–Si bond lengths are 2.98 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.37 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Lu3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1307933
title: Materials Data on YCuSi by Materials Project

description: YCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Y–Si bond lengths are 3.04 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.39 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Y3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1307934
title: Materials Data on ScAl2 by Materials Project

description: Al2Sc is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Al atoms. All Sc–Sc bond lengths are 3.28 Å. All Sc–Al bond lengths are 3.15 Å. Al is bonded to six equivalent Sc and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlSc6Al6 cuboctahedra. All Al–Al bond lengths are 2.68 Å.
DOI: 10.17188/1307935
title: Materials Data on DySe by Materials Project

description: DySe 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 Se atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Se bond lengths are 2.88 Å. Se is bonded to six equivalent Dy atoms to form a mixture of edge and corner-sharing SeDy6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1307936
title: Materials Data on RbScO2 by Materials Project

description: RbScO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 2.86 Å. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.18 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Sc3+ atoms.
DOI: 10.17188/1307937
title: Materials Data on GaNi3 by Materials Project

description: Ni3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Ga atoms to form NiGa4Ni8 cuboctahedra that share corners with twelve equivalent NiGa4Ni8 cuboctahedra, edges with eight equivalent GaNi12 cuboctahedra, edges with sixteen equivalent NiGa4Ni8 cuboctahedra, faces with four equivalent GaNi12 cuboctahedra, and faces with fourteen equivalent NiGa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Ga bond lengths are 2.53 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, edges with twenty-four equivalent NiGa4Ni8 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with twelve equivalent NiGa4Ni8 cuboctahedra.
DOI: 10.17188/1307938
title: Materials Data on TlCu4S3 by Materials Project

description: TlCu4S3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cu+1.25+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.45 Å) Cu–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.25+ and four equivalent Tl1+ atoms. In the second S2- site, S2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms.
DOI: 10.17188/1307939
title: Materials Data on TmTl3 by Materials Project

description: TmTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Tl atoms to form TmTl12 cuboctahedra that share corners with twelve equivalent TmTl12 cuboctahedra, edges with twenty-four equivalent TlTm4Tl8 cuboctahedra, faces with six equivalent TmTl12 cuboctahedra, and faces with twelve equivalent TlTm4Tl8 cuboctahedra. All Tm–Tl bond lengths are 3.37 Å. Tl is bonded to four equivalent Tm and eight equivalent Tl atoms to form TlTm4Tl8 cuboctahedra that share corners with twelve equivalent TlTm4Tl8 cuboctahedra, edges with eight equivalent TmTl12 cuboctahedra, edges with sixteen equivalent TlTm4Tl8 cuboctahedra, faces with four equivalent TmTl12 cuboctahedra, and faces with fourteen equivalent TlTm4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.37 Å.
DOI: 10.17188/1307940
title: Materials Data on KTlO2 by Materials Project

description: KTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form distorted KO6 octahedra that share corners with six equivalent TlO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 12°. All K–O bond lengths are 2.76 Å. Tl3+ is bonded to six equivalent O2- atoms to form TlO6 octahedra that share corners with six equivalent KO6 octahedra, edges with six equivalent KO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–O bond lengths are 2.36 Å. O2- is bonded to three equivalent K1+ and three equivalent Tl3+ atoms to form a mixture of corner and edge-sharing OK3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1307941
title: Materials Data on RbTlO2 by Materials Project

description: RbTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 octahedra that share corners with six equivalent TlO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Rb–O bond lengths are 2.89 Å. Tl3+ is bonded to six equivalent O2- atoms to form TlO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Tl–O bond lengths are 2.37 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing ORb3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1307942
title: Materials Data on HgF2 by Materials Project

description: HgF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hg2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Hg–F bond lengths are 2.45 Å. F1- is bonded to four equivalent Hg2+ atoms to form a mixture of edge and corner-sharing FHg4 tetrahedra.
DOI: 10.17188/1307943
title: Materials Data on LiTlO2 by Materials Project

description: LiTlO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent TlO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent TlO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.32 Å) and two longer (2.39 Å) Li–O bond lengths. Tl3+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent TlO6 octahedra, edges with four equivalent TlO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.27 Å) and four longer (2.32 Å) Tl–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OLi3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OLi3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.32 Å) and one longer (2.39 Å) O–Li bond lengths. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OLi3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the fourth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OLi3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.32 Å) and one longer (2.39 Å) O–Li bond lengths.
DOI: 10.17188/1307944
title: Materials Data on SiRh by Materials Project

description: RhSi is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing RhSi6 octahedra. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Rh–Si bond distances ranging from 2.44–2.52 Å. Si4- is bonded in a 6-coordinate geometry to six equivalent Rh4+ atoms.
DOI: 10.17188/1307945
title: Materials Data on LiNO3 by Materials Project

description: LiNO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form corner-sharing LiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Li–O bond lengths are 2.19 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one N5+ atom.
DOI: 10.17188/1307946
title: Materials Data on Li2CeN2 by Materials Project

description: Li2CeN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with six equivalent CeN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent CeN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–59°. There are one shorter (2.08 Å) and three longer (2.27 Å) Li–N bond lengths. Ce4+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent CeN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All Ce–N bond lengths are 2.41 Å. N3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing NLi4Ce3 pentagonal bipyramids.
DOI: 10.17188/1307947
title: Materials Data on As3Rh by Materials Project

description: RhAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent As1- atoms to form RhAs6 octahedra that share corners with six equivalent RhAs6 octahedra and corners with twelve equivalent AsAs2Rh2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Rh–As bond lengths are 2.47 Å. As1- is bonded to two equivalent Rh3+ and two equivalent As1- atoms to form distorted AsAs2Rh2 tetrahedra that share corners with four equivalent RhAs6 octahedra, corners with ten equivalent AsAs2Rh2 tetrahedra, and an edgeedge with one AsAs2Rh2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–70°. There are one shorter (2.52 Å) and one longer (2.60 Å) As–As bond lengths.
DOI: 10.17188/1307948
title: Materials Data on Li2ZnGeO4 by Materials Project

description: Li2ZnGeO4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.03 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent GeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra and corners with eight LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight LiO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Zn2+, and one Ge4+ atom to form corner-sharing OLi2ZnGe tetrahedra.
DOI: 10.17188/1307949
title: Materials Data on K2ZnO2 by Materials Project

description: K2ZnO2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.02 Å. Zn2+ is bonded to four equivalent O2- atoms to form distorted edge-sharing ZnO4 tetrahedra. All Zn–O bond lengths are 2.04 Å. O2- is bonded in a 7-coordinate geometry to five equivalent K1+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1307950
title: Materials Data on KScO2 by Materials Project

description: KScO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.73 Å. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.17 Å. O2- is bonded to three equivalent K1+ and three equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing OK3Sc3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1307951
title: Materials Data on LiReO3 by Materials Project

description: LiReO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.06 Å) and three longer (2.36 Å) Li–O bond lengths. Re5+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There is three shorter (1.94 Å) and three longer (1.97 Å) Re–O bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Re5+ atoms.
DOI: 10.17188/1307952
title: Materials Data on HfCr2 by Materials Project

description: HfCr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Cr atoms. All Hf–Hf bond lengths are 3.07 Å. All Hf–Cr bond lengths are 2.94 Å. Cr is bonded to six equivalent Hf and six equivalent Cr atoms to form a mixture of face, edge, and corner-sharing CrHf6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.51 Å.
DOI: 10.17188/1307953
title: Materials Data on Tl2SiS3 by Materials Project

description: Tl2SiS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.04–3.69 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.98 Å. Si4+ is bonded to four S2- atoms to form edge-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.10–2.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Si4+ atoms.
DOI: 10.17188/1307954
title: Materials Data on Cs2PtF6 by Materials Project

description: Cs2PtF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent PtF6 octahedra, faces with eight equivalent CsF12 cuboctahedra, and faces with three equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are six shorter (3.21 Å) and six longer (3.28 Å) Cs–F bond lengths. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with six equivalent CsF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pt4+ atom.
DOI: 10.17188/1307955
title: Materials Data on Rb2PtF6 by Materials Project

description: Rb2PtF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with six equivalent RbF12 cuboctahedra, corners with three equivalent PtF6 octahedra, faces with eight equivalent RbF12 cuboctahedra, and faces with three equivalent PtF6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are nine shorter (3.07 Å) and three longer (3.11 Å) Rb–F bond lengths. Pt4+ is bonded to six equivalent F1- atoms to form PtF6 octahedra that share corners with six equivalent RbF12 cuboctahedra and faces with six equivalent RbF12 cuboctahedra. All Pt–F bond lengths are 1.98 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Pt4+ atom.
DOI: 10.17188/1307956
title: Materials Data on Ba2GeP2 by Materials Project

description: Ba2GeP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Ba–P bond distances ranging from 3.21–3.67 Å. In the second Ba2+ site, Ba2+ is bonded to six P3- atoms to form edge-sharing BaP6 octahedra. There are a spread of Ba–P bond distances ranging from 3.26–3.47 Å. Ge2+ is bonded in a distorted bent 120 degrees geometry to two P3- atoms. There are one shorter (2.31 Å) and one longer (2.32 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge2+ atom.