cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753244
title: Materials Data on TiS2 by Materials Project

description: TiS2 is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TiS2 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.
DOI: 10.17188/1753245
title: Materials Data on RbEu3 by Materials Project

description: RbEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Eu atoms to form RbEu12 cuboctahedra that share corners with four equivalent RbEu12 cuboctahedra, corners with eight equivalent EuRb4Eu8 cuboctahedra, edges with eight equivalent RbEu12 cuboctahedra, edges with sixteen equivalent EuRb4Eu8 cuboctahedra, faces with four equivalent RbEu12 cuboctahedra, and faces with fourteen EuRb4Eu8 cuboctahedra. There are four shorter (4.22 Å) and eight longer (4.25 Å) Rb–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Rb and eight Eu atoms to form EuRb4Eu8 cuboctahedra that share corners with twelve equivalent EuRb4Eu8 cuboctahedra, edges with eight equivalent RbEu12 cuboctahedra, edges with sixteen EuRb4Eu8 cuboctahedra, faces with four equivalent RbEu12 cuboctahedra, and faces with fourteen EuRb4Eu8 cuboctahedra. There are four shorter (4.22 Å) and four longer (4.25 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Rb and eight equivalent Eu atoms to form distorted EuRb4Eu8 cuboctahedra that share corners with four equivalent EuRb4Eu8 cuboctahedra, corners with eight equivalent RbEu12 cuboctahedra, edges with twenty-four EuRb4Eu8 cuboctahedra, faces with six equivalent RbEu12 cuboctahedra, and faces with twelve EuRb4Eu8 cuboctahedra.
DOI: 10.17188/1753246
title: Materials Data on LaMo5O8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753247
title: Materials Data on CaVO2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753248
title: Materials Data on RbCdN3 by Materials Project

description: RbCdN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent N1- atoms to form RbN12 cuboctahedra that share corners with twelve equivalent RbN12 cuboctahedra, faces with six equivalent RbN12 cuboctahedra, and faces with eight equivalent CdN6 octahedra. All Rb–N bond lengths are 3.24 Å. Cd2+ is bonded to six equivalent N1- atoms to form CdN6 octahedra that share corners with six equivalent CdN6 octahedra and faces with eight equivalent RbN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–N bond lengths are 2.29 Å. N1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1753249
title: Materials Data on YGaRh by Materials Project

description: YRhGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to five equivalent Rh and six equivalent Ga atoms. There are one shorter (2.88 Å) and four longer (3.04 Å) Y–Rh bond lengths. There are a spread of Y–Ga bond distances ranging from 3.09–3.20 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.60–2.68 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Rh atoms.
DOI: 10.17188/1753250
title: Materials Data on Li15Mn8P8(O4F)8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753251
title: Materials Data on Ga4SbS9N3O2 by Materials Project

description: Ga4SbN3S9O2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form distorted corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.21–2.45 Å. In the second Ga3+ site, Ga3+ is bonded to three equivalent S2- and one O2- atom to form distorted corner-sharing GaS3O tetrahedra. All Ga–S bond lengths are 2.53 Å. The Ga–O bond length is 1.70 Å. Sb3+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.48 Å. N+2.33+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ga3+ and one O2- atom. The S–O bond length is 1.99 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Ga3+ and one N+2.33+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one Ga3+ and one Sb3+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Ga3+ atom.
DOI: 10.17188/1753252
title: Materials Data on CaY3Ti4O12 by Materials Project

description: CaY3Ti4O12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.77 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.74 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.66 Å. There are two inequivalent Ti+3.25+ sites. In the first Ti+3.25+ site, Ti+3.25+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–36°. There are a spread of Ti–O bond distances ranging from 2.01–2.05 Å. In the second Ti+3.25+ site, Ti+3.25+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–36°. There are a spread of Ti–O bond distances ranging from 1.99–2.05 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, one Y3+, and two equivalent Ti+3.25+ atoms to form distorted OCaYTi2 tetrahedra that share corners with two equivalent OCaYTi2 tetrahedra and corners with two equivalent OY2Ti2 trigonal pyramids. In the second O2- site, O2- is bonded to one Ca2+, one Y3+, and two equivalent Ti+3.25+ atoms to form distorted OCaYTi2 tetrahedra that share corners with two equivalent OCaYTi2 tetrahedra and corners with two equivalent OY2Ti2 trigonal pyramids. In the third O2- site, O2- is bonded to two Y3+ and two equivalent Ti+3.25+ atoms to form distorted OY2Ti2 trigonal pyramids that share corners with two equivalent OCaYTi2 tetrahedra and corners with two equivalent OY2Ti2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Y3+ and two equivalent Ti+3.25+ atoms to form distorted OY2Ti2 trigonal pyramids that share corners with two equivalent OCaYTi2 tetrahedra and corners with two equivalent OY2Ti2 trigonal pyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Y3+, and two Ti+3.25+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Y3+ and two Ti+3.25+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Y3+, and two Ti+3.25+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Ca2+, two Y3+, and two Ti+3.25+ atoms.
DOI: 10.17188/1753253
title: Materials Data on RbMg6Si by Materials Project

description: RbMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to eight Mg and two equivalent Si atoms. There are a spread of Rb–Mg bond distances ranging from 3.48–3.61 Å. Both Rb–Si bond lengths are 3.57 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Rb, two equivalent Mg, and one Si atom. Both Mg–Mg bond lengths are 3.23 Å. The Mg–Si bond length is 2.76 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Mg atoms. All Mg–Mg bond lengths are 3.14 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to one Rb, two equivalent Mg, and two equivalent Si atoms. Both Mg–Si bond lengths are 2.84 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.
DOI: 10.17188/1753254
title: Materials Data on SrLaScO4 by Materials Project

description: SrLaScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.94 Å. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.90 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Sc–O bond distances ranging from 2.06–2.35 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Sc3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and one Sc3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and one Sc3+ atom.
DOI: 10.17188/1753256
title: Materials Data on NdCd11 by Materials Project

description: Cd11Nd crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Nd–Cd bond distances ranging from 3.54–3.86 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.15 Å. In the second Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Nd and six Cd atoms. All Cd–Cd bond lengths are 2.94 Å. In the third Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Nd and eight Cd atoms. There are two shorter (2.92 Å) and four longer (3.00 Å) Cd–Cd bond lengths. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one Nd and nine Cd atoms. All Cd–Cd bond lengths are 3.15 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Nd and nine Cd atoms. There are four shorter (3.00 Å) and four longer (3.15 Å) Cd–Cd bond lengths.
DOI: 10.17188/1753257
title: Materials Data on Yb2TeO6 by Materials Project

description: Yb2TeO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.36–2.58 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.82 Å. In the third Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Yb–O bond distances ranging from 2.25–2.66 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.20–2.73 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.39 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Yb3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Yb3+ and one Te6+ atom to form distorted corner-sharing OYb3Te tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. The O–O bond length is 1.42 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+, one Te6+, and one O2- atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one Te6+ atom.
DOI: 10.17188/1753258
title: Materials Data on Ta5Ga3B by Materials Project

description: Ta5Ga3B crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to five equivalent Ga and two equivalent B atoms. There are a spread of Ta–Ga bond distances ranging from 2.72–2.94 Å. Both Ta–B bond lengths are 2.32 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and six equivalent Ga atoms. Both Ta–Ta bond lengths are 2.68 Å. All Ta–Ga bond lengths are 2.73 Å. Ga is bonded in a 9-coordinate geometry to nine Ta atoms. B is bonded to six equivalent Ta atoms to form face-sharing BTa6 octahedra.
DOI: 10.17188/1753259
title: Materials Data on Li5Mn6(BO3)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753260
title: Materials Data on Ta3Pb by Materials Project

description: Ta3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Ta–Pb bond lengths are 3.02 Å. Pb is bonded to twelve equivalent Ta atoms to form a mixture of face and corner-sharing PbTa12 cuboctahedra.
DOI: 10.17188/1753261
title: Materials Data on HgSBr by Materials Project

description: HgSBr crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one HgSBr ribbon oriented in the (0, 1, 0) direction. Hg2+ is bonded in a distorted rectangular see-saw-like geometry to one S1- and three equivalent Br1- atoms. The Hg–S bond length is 2.36 Å. There are one shorter (2.50 Å) and two longer (3.36 Å) Hg–Br bond lengths. S1- is bonded in a distorted single-bond geometry to one Hg2+ atom. Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.
DOI: 10.17188/1753262
title: Materials Data on Y2ZnCu by Materials Project

description: Y2CuZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2CuZn ribbons oriented in the (0, 1, 0) direction. Y is bonded in a linear geometry to one Cu and one Zn atom. The Y–Cu bond length is 2.79 Å. The Y–Zn bond length is 2.97 Å. Cu is bonded in a linear geometry to two equivalent Y atoms. Zn is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1753264
title: Materials Data on MnPtN2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753265
title: Materials Data on Ce2HgPb by Materials Project

description: Ce2HgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Pb atoms. All Ce–Hg bond lengths are 3.39 Å. All Ce–Pb bond lengths are 3.39 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.
DOI: 10.17188/1753266
title: Materials Data on Rb2TlSbF6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753269
title: Materials Data on Li2SiNiO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753270
title: Materials Data on KCu2H2(SO5)2 by Materials Project

description: KCu2H2(SO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded to eight O2- atoms to form distorted KO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra, edges with four equivalent CuO6 octahedra, and edges with two equivalent SO4 tetrahedra. There are six shorter (2.82 Å) and two longer (2.96 Å) K–O bond lengths. Cu+2.50+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent SO4 tetrahedra, edges with two equivalent KO8 hexagonal bipyramids, and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.50 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with four equivalent CuO6 octahedra, and an edgeedge with one KO8 hexagonal bipyramid. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cu+2.50+, and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Cu+2.50+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu+2.50+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one K1+ and one S6+ atom.
DOI: 10.17188/1753271
title: Materials Data on CrFe5(PO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1753272
title: Materials Data on Ca6As4PO35 by Materials Project

description: Ca6As4PO35 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.26–3.02 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.26–2.98 Å. There are two inequivalent As sites. In the first As site, As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.70–1.76 Å. In the second As site, As is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.72 Å) and one longer (1.78 Å) As–O bond length. P is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.55 Å) and one longer (1.59 Å) P–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two Ca and one As atom. In the second O site, O is bonded in a distorted tetrahedral geometry to three equivalent Ca and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to two Ca and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.29 Å) and one longer (1.30 Å) O–O bond length. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two Ca and one As atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one O atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Ca and one As atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Ca and one As atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ca and one O atom. The O–O bond length is 1.94 Å. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Ca and one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Ca and one As atom. In the twelfth O site, O is bonded in a 3-coordinate geometry to two Ca and one O atom. In the thirteenth O site, O is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1753273
title: Materials Data on MnPt by Materials Project

description: PtMn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. All Mn–Pt bond lengths are 2.66 Å. Pt2- is bonded to six equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing PtMn6 cuboctahedra.