cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1706815
title: Materials Data on Tl5V3O10 by Materials Project

description: V3Tl5O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent TlO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–49°. There are a spread of V–O bond distances ranging from 1.71–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.69 Å) and two longer (1.81 Å) V–O bond length. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.78–3.56 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.68–3.26 Å. In the third Tl1+ site, Tl1+ is bonded to six O2- atoms to form TlO6 octahedra that share corners with six equivalent VO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.82–2.93 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and four Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and five Tl1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ and three Tl1+ atoms.
DOI: 10.17188/1706816
title: Materials Data on TePb by Materials Project

description: PbTe crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PbTe sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded to five equivalent Te2- atoms to form a mixture of corner and edge-sharing PbTe5 square pyramids. There are a spread of Pb–Te bond distances ranging from 3.04–3.31 Å. Te2- is bonded to five equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TePb5 square pyramids.
DOI: 10.17188/1706817
title: Materials Data on Ba2Cu(SCl)2 by Materials Project

description: Ba2Cu(SCl)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent Cl1- atoms. There are one shorter (3.06 Å) and four longer (3.44 Å) Ba–S bond lengths. All Ba–Cl bond lengths are 3.31 Å. Cu2+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form corner-sharing CuS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–S bond lengths are 2.41 Å. All Cu–Cl bond lengths are 2.43 Å. S2- is bonded to five equivalent Ba2+ and one Cu2+ atom to form distorted SBa5Cu octahedra that share corners with five equivalent SBa5Cu octahedra, corners with twelve equivalent ClBa4Cu2 octahedra, edges with eight equivalent SBa5Cu octahedra, and faces with four equivalent ClBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. Cl1- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form distorted ClBa4Cu2 octahedra that share corners with two equivalent ClBa4Cu2 octahedra, corners with twelve equivalent SBa5Cu octahedra, edges with two equivalent ClBa4Cu2 octahedra, faces with four equivalent SBa5Cu octahedra, and faces with four equivalent ClBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°.
DOI: 10.17188/1706818
title: Materials Data on Lu3CrS6 by Materials Project

description: Lu3CrS6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.70–2.90 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.70–3.01 Å. In the third Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share a cornercorner with one CrS6 octahedra, edges with two equivalent CrS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Lu–S bond distances ranging from 2.67–2.80 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share edges with two equivalent CrS6 octahedra and edges with four equivalent LuS7 pentagonal bipyramids. There are two shorter (2.40 Å) and four longer (2.44 Å) Cr–S bond lengths. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with two equivalent LuS7 pentagonal bipyramids and edges with two equivalent CrS6 octahedra. There are two shorter (2.34 Å) and four longer (2.48 Å) Cr–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Lu3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Lu3+ and two equivalent Cr3+ atoms. In the third S2- site, S2- is bonded to three Lu3+ and one Cr3+ atom to form distorted SLu3Cr trigonal pyramids that share corners with two equivalent SLu4Cr square pyramids, corners with five SLu5 trigonal bipyramids, corners with three equivalent SLu3Cr trigonal pyramids, and a faceface with one SLu5 trigonal bipyramid. In the fourth S2- site, S2- is bonded to five Lu3+ atoms to form distorted SLu5 trigonal bipyramids that share corners with four equivalent SLu4Cr square pyramids, a cornercorner with one SLu3Cr2 trigonal bipyramid, corners with two equivalent SLu3Cr trigonal pyramids, an edgeedge with one SLu4Cr square pyramid, edges with four SLu5 trigonal bipyramids, and a faceface with one SLu3Cr trigonal pyramid. In the fifth S2- site, S2- is bonded to four Lu3+ and one Cr3+ atom to form distorted SLu4Cr square pyramids that share a cornercorner with one SLu4Cr square pyramid, corners with four equivalent SLu5 trigonal bipyramids, corners with two equivalent SLu3Cr trigonal pyramids, edges with two equivalent SLu4Cr square pyramids, and edges with five SLu5 trigonal bipyramids. In the sixth S2- site, S2- is bonded to three Lu3+ and two equivalent Cr3+ atoms to form distorted SLu3Cr2 trigonal bipyramids that share corners with five SLu5 trigonal bipyramids, corners with three equivalent SLu3Cr trigonal pyramids, edges with four equivalent SLu4Cr square pyramids, and edges with three SLu3Cr2 trigonal bipyramids.
DOI: 10.17188/1706820
title: Materials Data on Li3IrN2 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: 10.17188/1706822
title: Materials Data on ErGaRh by Materials Project

description: ErRhGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to five equivalent Rh and six equivalent Ga atoms. There are a spread of Er–Rh bond distances ranging from 2.86–3.04 Å. There are a spread of Er–Ga bond distances ranging from 3.10–3.19 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ga atoms. There are three shorter (2.61 Å) and one longer (2.67 Å) Rh–Ga bond lengths. Ga is bonded in a 4-coordinate geometry to six equivalent Er and four equivalent Rh atoms.
DOI: 10.17188/1706823
title: Materials Data on ZnS 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: 10.17188/1706824
title: Materials Data on KLiHo2(MoO4)4 by Materials Project

description: KLiHo2(MoO4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.18 Å. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.60 Å. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.29–2.48 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.87 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.88 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Li1+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ho3+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Ho3+, and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom.
DOI: 10.17188/1706825
title: Materials Data on YLuHg2 by Materials Project

description: LuYHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Lu–Hg bond lengths are 3.20 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.
DOI: 10.17188/1706827
title: Materials Data on ZnCu(Si2O5)2 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: 10.17188/1706829
title: Materials Data on In3B by Materials Project

description: (In)3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four boron molecules and twelve indium molecules.
DOI: 10.17188/1706830
title: Materials Data on BaSr(PbO3)2 by Materials Project

description: BaSr(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.14 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.95 Å. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. There are a spread of Pb–O bond distances ranging from 2.20–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, two equivalent Sr2+, and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Sr2+, and two equivalent Pb4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Pb4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Pb4+ atoms to form distorted corner-sharing OSr2Pb2 tetrahedra.
DOI: 10.17188/1706831
title: Materials Data on SbH16C4Br5N2 by Materials Project

description: (CH3)2(CH3NH2)2SbBr5 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of sixteen methane molecules; sixteen methylammonium molecules; and four SbBr5 ribbons oriented in the (1, 0, 0) direction. In each SbBr5 ribbon, Sb3+ is bonded to six Br1- atoms to form corner-sharing SbBr6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of Sb–Br bond distances ranging from 2.65–3.09 Å. There are five inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Br1- site, Br1- is bonded in a bent 150 degrees geometry to two equivalent Sb3+ atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1706832
title: Materials Data on Li4Co5O12 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: 10.17188/1706833
title: Materials Data on Li3FeNi3O8 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: 10.17188/1706835
title: Materials Data on Sm2CoRuO6 by Materials Project

description: Sm2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.02 Å) and four longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.11 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OSm2CoRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom.
DOI: 10.17188/1706836
title: Materials Data on TaMo2W by Materials Project

description: TaWMo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaWMo2 ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Mo atoms. Both Ta–Mo bond lengths are 2.33 Å. W is bonded in a linear geometry to two equivalent Mo atoms. Both W–Mo bond lengths are 2.31 Å. Mo is bonded in a linear geometry to one Ta and one W atom.
DOI: 10.17188/1706837
title: Materials Data on U2Ru by Materials Project

description: U2Ru crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two U2Ru sheets oriented in the (1, 0, 0) direction. there are three inequivalent U sites. In the first U site, U is bonded in a distorted rectangular see-saw-like geometry to four U and four equivalent Ru atoms. There are a spread of U–U bond distances ranging from 3.09–3.18 Å. There are two shorter (2.73 Å) and two longer (2.75 Å) U–Ru bond lengths. In the second U site, U is bonded to eight U and four equivalent Ru atoms to form a mixture of distorted corner and face-sharing UU8Ru4 cuboctahedra. All U–U bond lengths are 2.73 Å. There are two shorter (3.21 Å) and two longer (3.31 Å) U–Ru bond lengths. In the third U site, U is bonded to eight U and four equivalent Ru atoms to form a mixture of distorted corner and face-sharing UU8Ru4 cuboctahedra. All U–Ru bond lengths are 3.27 Å. Ru is bonded in a distorted rectangular see-saw-like geometry to eight U atoms.
DOI: 10.17188/1706838
title: Materials Data on GaGeTe2 by Materials Project

description: GaTeGeTe is black P-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two GaTe sheets oriented in the (0, 0, 1) direction and two GeTe sheets oriented in the (0, 0, 1) direction. In each GaTe sheet, Ga2+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Ga–Te bond lengths are 2.74 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms. In each GeTe sheet, Ge2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. All Ge–Te bond lengths are 2.77 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms.
DOI: 10.17188/1706839
title: Materials Data on K2CoO3 by Materials Project

description: K2CoO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 pentagonal bipyramids that share corners with four equivalent KO7 pentagonal bipyramids, a cornercorner with one CoO4 tetrahedra, edges with three equivalent KO7 pentagonal bipyramids, and edges with four equivalent CoO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.76–2.94 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.94 Å. Co4+ is bonded to four O2- atoms to form CoO4 tetrahedra that share a cornercorner with one KO7 pentagonal bipyramid, corners with two equivalent CoO4 tetrahedra, and edges with four equivalent KO7 pentagonal bipyramids. There is two shorter (1.76 Å) and two longer (1.86 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Co4+ atom. In the third O2- site, O2- is bonded to five K1+ and one Co4+ atom to form a mixture of distorted edge and corner-sharing OK5Co octahedra. The corner-sharing octahedral tilt angles are 16°.
DOI: 10.17188/1706840
title: Materials Data on Mn3FeO8 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: 10.17188/1706841
title: Materials Data on Eu2Si3Ni by Materials Project

description: Eu2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu is bonded to three equivalent Ni and nine Si atoms to form a mixture of face and edge-sharing EuSi9Ni3 cuboctahedra. All Eu–Ni bond lengths are 3.16 Å. There are three shorter (3.16 Å) and six longer (3.26 Å) Eu–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Ni–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Si atoms.
DOI: 10.17188/1706842
title: Materials Data on Nd6Mn16Ni7 by Materials Project

description: Nd6Mn16Ni7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Mn and four equivalent Ni atoms. There are four shorter (3.02 Å) and four longer (3.13 Å) Nd–Mn bond lengths. All Nd–Ni bond lengths are 3.15 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 3-coordinate geometry to three equivalent Nd, six Mn, and three equivalent Ni atoms. There are three shorter (2.54 Å) and three longer (2.70 Å) Mn–Mn bond lengths. All Mn–Ni bond lengths are 2.54 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Nd, six Mn, and four Ni atoms. All Mn–Mn bond lengths are 2.98 Å. There are one shorter (2.58 Å) and three longer (2.72 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Nd and eight Mn atoms to form a mixture of corner and face-sharing NiNd4Mn8 cuboctahedra. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1706843
title: Materials Data on Gd3BiO3 by Materials Project

description: Gd3BiO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four O atoms. There are two shorter (3.46 Å) and two longer (3.51 Å) Gd–Bi bond lengths. There are a spread of Gd–O bond distances ranging from 2.28–2.69 Å. In the second Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.35 Å. There are a spread of Gd–O bond distances ranging from 2.25–2.35 Å. In the third Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.30 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. Bi is bonded in a body-centered cubic geometry to eight Gd atoms. There are three inequivalent O sites. In the first O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. In the third O site, O is bonded to four Gd atoms to form a mixture of distorted edge and corner-sharing OGd4 trigonal pyramids.