cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1194394
title: Materials Data on CdWO4 by Materials Project

description: CdWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CdO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Cd–O bond distances ranging from 2.27–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1194395
title: Materials Data on BaNi2(AsO4)2 by Materials Project

description: BaNi2(AsO4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent NiO6 octahedra, edges with six equivalent BaO12 cuboctahedra, edges with six equivalent AsO4 tetrahedra, and faces with two equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are six shorter (2.96 Å) and six longer (3.25 Å) Ba–O bond lengths. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with six equivalent AsO4 tetrahedra, edges with three equivalent NiO6 octahedra, and a faceface with one BaO12 cuboctahedra. All Ni–O bond lengths are 2.08 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent NiO6 octahedra and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 54–57°. There is one shorter (1.69 Å) and three longer (1.74 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent Ni2+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one As5+ atom.
DOI: 10.17188/1194396
title: Materials Data on Ba2NdMoO6 by Materials Project

description: Ba2NdMoO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.35 Å. Nd3+ is bonded to six O2- atoms to form NdO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Nd–O bond distances ranging from 2.07–2.33 Å. Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent NdO6 octahedra. The corner-sharing octahedra tilt angles range from 15–18°. There are a spread of Mo–O bond distances ranging from 1.99–2.35 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+, one Nd3+, and one Mo5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ba2+, one Nd3+, and one Mo5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Nd3+, and one Mo5+ atom.
DOI: 10.17188/1194397
title: Materials Data on ErNi2 by Materials Project

description: ErNi2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Er–Ni bond lengths are 2.95 Å. Ni is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of edge, face, and corner-sharing NiEr6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.
DOI: 10.17188/1194398
title: Materials Data on WO3 by Materials Project

description: WO3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W6+ is bonded to six equivalent O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.93 Å. O2- is bonded in a linear geometry to two equivalent W6+ atoms.
DOI: 10.17188/1194399
title: Materials Data on NaVO2 by Materials Project

description: NaVO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent VO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.40 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All V–O bond lengths are 2.08 Å. O2- is bonded to three equivalent Na1+ and three equivalent V3+ atoms to form a mixture of corner and edge-sharing ONa3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1194400
title: Materials Data on NdMn2O5 by Materials Project

description: NdMn2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.56 Å. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four equivalent MnO6 octahedra and an edgeedge with one MnO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Mn–O bond distances ranging from 1.94–2.10 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO5 square pyramids and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–1.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Mn+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Mn+3.50+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Mn+3.50+ atoms.
DOI: 10.17188/1194401
title: Materials Data on LiV2O4 by Materials Project

description: LiV2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with twelve equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–O bond lengths are 1.97 Å. V+3.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent VO6 octahedra. All V–O bond lengths are 2.01 Å. O2- is bonded to one Li1+ and three equivalent V+3.50+ atoms to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids.
DOI: 10.17188/1194402
title: Materials Data on MnO2 by Materials Project

description: MnO2 is Rutile-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mn4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Mn–O bond distances ranging from 1.92–1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms.
DOI: 10.17188/1194403
title: Materials Data on Na4Fe2O5 by Materials Project

description: Na4Fe2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.87 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.79 Å. In the third Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with three FeO4 tetrahedra, corners with two equivalent NaO5 trigonal bipyramids, edges with two equivalent FeO4 tetrahedra, and edges with two NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.44–2.69 Å. In the fourth Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with four FeO4 tetrahedra, corners with two equivalent NaO5 trigonal bipyramids, edges with two FeO4 tetrahedra, and edges with two NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.28–2.57 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra, corners with five NaO5 trigonal bipyramids, and an edgeedge with one NaO5 trigonal bipyramid. There are a spread of Fe–O bond distances ranging from 1.85–1.94 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three FeO4 tetrahedra, corners with two NaO5 trigonal bipyramids, and edges with three NaO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.85–1.94 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Fe3+ atom to form a mixture of distorted edge and corner-sharing ONa5Fe octahedra. The corner-sharing octahedra tilt angles range from 42–52°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two Fe3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two equivalent Fe3+ atoms. In the fifth O2- site, O2- is bonded to five Na1+ and one Fe3+ atom to form a mixture of edge and corner-sharing ONa5Fe octahedra. The corner-sharing octahedra tilt angles range from 42–52°.
DOI: 10.17188/1194407
title: Materials Data on Ba2Na(NiO2)3 by Materials Project

description: NaBa2Ni3O6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.43 Å) and two longer (2.44 Å) Na–O bond lengths. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.77 Å) and four longer (2.81 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.86–3.11 Å. There are two inequivalent Ni+2.33+ sites. In the first Ni+2.33+ site, Ni+2.33+ is bonded in a square co-planar geometry to four O2- atoms. All Ni–O bond lengths are 1.89 Å. In the second Ni+2.33+ site, Ni+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 1.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Na1+, three Ba2+, and two Ni+2.33+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one Na1+, three Ba2+, and two equivalent Ni+2.33+ atoms.
DOI: 10.17188/1194408
title: Materials Data on FeAsO4 by Materials Project

description: FeAsO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra and corners with six AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two shorter (2.02 Å) and four longer (2.05 Å) Fe–O bond lengths. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four AsO4 tetrahedra, an edgeedge with one FeO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Fe–O bond distances ranging from 1.98–2.09 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There is two shorter (1.70 Å) and two longer (1.75 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four FeO6 octahedra and an edgeedge with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–57°. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one As5+ atom.
DOI: 10.17188/1194410
title: Materials Data on Th2N3 by Materials Project

description: Th2N3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to seven N+2.67- atoms. There are a spread of Th–N bond distances ranging from 2.36–2.73 Å. There are two inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six equivalent Th4+ atoms to form NTh6 octahedra that share corners with twelve equivalent NTh4 tetrahedra, edges with six equivalent NTh6 octahedra, and edges with six equivalent NTh4 tetrahedra. In the second N+2.67- site, N+2.67- is bonded to four equivalent Th4+ atoms to form NTh4 tetrahedra that share corners with six equivalent NTh6 octahedra, corners with six equivalent NTh4 tetrahedra, edges with three equivalent NTh6 octahedra, and edges with three equivalent NTh4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–56°.
DOI: 10.17188/1194411
title: Materials Data on Sr2NiWO6 by Materials Project

description: Sr2NiWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent WO6 octahedra, and faces with four equivalent NiO6 octahedra. All Sr–O bond lengths are 2.83 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.94 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one W6+, and one Ni2+ atom.
DOI: 10.17188/1194412
title: Materials Data on CrPO4 by Materials Project

description: CrPO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent CrO6 octahedra, corners with four PO4 tetrahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cr–O bond distances ranging from 1.99–2.05 Å. In the second Cr3+ site, Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra and corners with six PO4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two shorter (2.01 Å) and four longer (2.02 Å) Cr–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four CrO6 octahedra and an edgeedge with one CrO6 octahedra. The corner-sharing octahedra tilt angles range from 39–54°. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six CrO6 octahedra. The corner-sharing octahedra tilt angles range from 38–55°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cr3+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr3+ and one P5+ atom.
DOI: 10.17188/1194413
title: Materials Data on V4Ag2O11 by Materials Project

description: Ag2V4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.51 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.31 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.45 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to four V5+ atoms.
DOI: 10.17188/1194414
title: Materials Data on Ba2CaMoO6 by Materials Project

description: Ba2CaMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent CaO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 3.01 Å. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.30 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ca2+, and one Mo6+ atom.
DOI: 10.17188/1194415
title: Materials Data on Ni(AgO)2 by Materials Project

description: Ag2NiO2 is Calaverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ag2NiO2 sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.06 Å. Ag1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.42 Å. O2- is bonded to three equivalent Ni2+ and three equivalent Ag1+ atoms to form a mixture of edge and corner-sharing ONi3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1194416
title: Materials Data on La2MgMnO6 by Materials Project

description: MgLa2MnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Mg–O bond lengths are 2.06 Å. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.81 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Mn–O bond lengths are 1.93 Å. O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Mn4+ atom.
DOI: 10.17188/1194417
title: Materials Data on MnWO4 by Materials Project

description: MnWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of W–O bond distances ranging from 1.84–2.13 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are four shorter (2.17 Å) and two longer (2.28 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Mn2+ atoms.