cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1193463
title: Materials Data on LiMnO2 by Materials Project

description: LiMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Li–O bond distances ranging from 2.08–2.32 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Mn–O bond distances ranging from 1.94–2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. In the second O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Mn3+ atoms to form a mixture of edge and corner-sharing OLi2Mn4 octahedra. The corner-sharing octahedra tilt angles range from 1–11°.
DOI: 10.17188/1193464
title: Materials Data on CeVO3 by Materials Project

description: CeVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.28–2.78 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–39°. There are four shorter (2.08 Å) and two longer (2.11 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ce3+ and two equivalent V3+ atoms to form distorted corner-sharing OCe2V2 trigonal pyramids.
DOI: 10.17188/1193465
title: Materials Data on HoAl3 by Materials Project

description: HoAl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Al atoms to form HoAl12 cuboctahedra that share corners with twelve equivalent HoAl12 cuboctahedra, edges with twenty-four equivalent AlHo4Al8 cuboctahedra, faces with six equivalent HoAl12 cuboctahedra, and faces with twelve equivalent AlHo4Al8 cuboctahedra. All Ho–Al bond lengths are 3.00 Å. Al is bonded to four equivalent Ho and eight equivalent Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve equivalent AlHo4Al8 cuboctahedra, edges with eight equivalent HoAl12 cuboctahedra, edges with sixteen equivalent AlHo4Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen equivalent AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 3.00 Å.
DOI: 10.17188/1193466
title: Materials Data on YCrO3 by Materials Project

description: YCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All Y–O bond lengths are 2.73 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1193467
title: Materials Data on Sr2CoWO6 by Materials Project

description: Sr2CoWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.12 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. All W–O bond lengths are 1.95 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (2.07 Å) and two longer (2.18 Å) Co–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one W6+, and one Co2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Co2+ atom to form a mixture of distorted edge and corner-sharing OSr4CoW octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1193468
title: Materials Data on Na4Mo(NO)2 by Materials Project

description: Na4Mo(NO)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four NaN4O square pyramids, corners with four equivalent NaN2O2 tetrahedra, corners with four equivalent MoN2O2 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.32–2.42 Å. In the second Na1+ site, Na1+ is bonded to four N3- and one O2- atom to form distorted NaN4O square pyramids that share corners with three equivalent NaN4O square pyramids, a cornercorner with one MoN2O2 tetrahedra, corners with five NaO4 tetrahedra, edges with five NaN4O square pyramids, an edgeedge with one NaN2O2 tetrahedra, and edges with two equivalent MoN2O2 tetrahedra. There are a spread of Na–N bond distances ranging from 2.48–2.68 Å. The Na–O bond length is 2.48 Å. In the third Na1+ site, Na1+ is bonded to four N3- and one O2- atom to form distorted NaN4O square pyramids that share corners with three equivalent NaN4O square pyramids, corners with three NaO4 tetrahedra, corners with three equivalent MoN2O2 tetrahedra, edges with five NaN4O square pyramids, an edgeedge with one MoN2O2 tetrahedra, and edges with two equivalent NaN2O2 tetrahedra. There are a spread of Na–N bond distances ranging from 2.46–2.54 Å. The Na–O bond length is 2.78 Å. In the fourth Na1+ site, Na1+ is bonded to two N3- and two O2- atoms to form distorted NaN2O2 tetrahedra that share corners with four NaN4O square pyramids, corners with four equivalent NaO4 tetrahedra, corners with four equivalent MoN2O2 tetrahedra, and edges with three NaN4O square pyramids. There are one shorter (2.42 Å) and one longer (2.43 Å) Na–N bond lengths. There are one shorter (2.35 Å) and one longer (2.40 Å) Na–O bond lengths. Mo6+ is bonded to two N3- and two O2- atoms to form MoN2O2 tetrahedra that share corners with four NaN4O square pyramids, corners with eight NaO4 tetrahedra, and edges with three NaN4O square pyramids. Both Mo–N bond lengths are 1.82 Å. There is one shorter (1.90 Å) and one longer (1.91 Å) Mo–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Na1+ and one Mo6+ atom to form distorted NNa5Mo octahedra that share corners with two equivalent ONa3Mo tetrahedra and edges with two equivalent NNa5Mo octahedra. In the second N3- site, N3- is bonded in a 6-coordinate geometry to five Na1+ and one Mo6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded to three Na1+ and one Mo6+ atom to form distorted ONa3Mo tetrahedra that share corners with two equivalent NNa5Mo octahedra and an edgeedge with one ONa3Mo tetrahedra. The corner-sharing octahedra tilt angles range from 62–69°.
DOI: 10.17188/1193469
title: Materials Data on WO3 by Materials Project

description: WO3 is High-temperature superconductor-like structured and crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of W–O bond distances ranging from 1.84–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.
DOI: 10.17188/1193470
title: Materials Data on NaFeP2O7 by Materials Project

description: NaFeP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.40–2.74 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.97–2.08 Å. 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 three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–53°. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–50°. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Fe3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Fe3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Fe3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Fe3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Fe3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom.
DOI: 10.17188/1193471
title: Materials Data on Fe3PO7 by Materials Project

description: Fe3PO7 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with two equivalent PO4 tetrahedra, corners with four equivalent FeO5 trigonal bipyramids, and edges with two equivalent FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.93–2.23 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent FeO5 trigonal bipyramids. There is three shorter (1.54 Å) and one longer (1.59 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Fe3+ and one P5+ atom.
DOI: 10.17188/1193472
title: Materials Data on CaCoP2O7 by Materials Project

description: CaCoP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.71 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.11–2.22 Å. 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 three equivalent CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two equivalent Co2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Co2+, and one P5+ atom.
DOI: 10.17188/1193473
title: Materials Data on Zr(WO4)2 by Materials Project

description: ZrW2O8 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with three equivalent WO4 tetrahedra and corners with three equivalent WO5 trigonal bipyramids. There are three shorter (2.07 Å) and three longer (2.15 Å) Zr–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five O2- atoms to form distorted WO5 trigonal bipyramids that share corners with three equivalent ZrO6 octahedra and a cornercorner with one WO4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of W–O bond distances ranging from 1.75–2.34 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent ZrO6 octahedra and a cornercorner with one WO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 7°. There is one shorter (1.78 Å) and three longer (1.82 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one Zr4+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one W6+ atom.
DOI: 10.17188/1193474
title: Materials Data on Na2CrO4 by Materials Project

description: Na2CrO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.51 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.39 Å) and four longer (2.46 Å) Na–O bond lengths. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There is two shorter (1.66 Å) and two longer (1.68 Å) Cr–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one Cr6+ atom.
DOI: 10.17188/1193475
title: Materials Data on HfBe13 by Materials Project

description: Be13Hf crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Hf atoms to form a mixture of distorted edge, face, and corner-sharing BeHf2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.11–2.31 Å. Both Be–Hf bond lengths are 2.92 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. Hf is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.
DOI: 10.17188/1193476
title: Materials Data on K2WO4 by Materials Project

description: K2WO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.32 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.33 Å. W6+ is bonded in a tetrahedral geometry to four O2- atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom.
DOI: 10.17188/1193477
title: Materials Data on CrCdO4 by Materials Project

description: CrCdO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.64 Å) and two longer (1.70 Å) Cr–O bond length. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are two shorter (2.30 Å) and four longer (2.33 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and one Cd2+ atom.
DOI: 10.17188/1193478
title: Materials Data on LiFeO2 by Materials Project

description: LiFeO2 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 FeO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.07 Å) and two longer (2.36 Å) Li–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent FeO6 octahedra, edges with four equivalent FeO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.04 Å) and four longer (2.07 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Fe3+ atoms to form a mixture of edge and corner-sharing OLi3Fe3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Fe3+ atoms to form a mixture of edge and corner-sharing OLi3Fe3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°.
DOI: 10.17188/1193484
title: Materials Data on Ca2FeMoO6 by Materials Project

description: Ca2FeMoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.78 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There is two shorter (1.95 Å) and four longer (2.04 Å) Mo–O bond length. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Fe–O bond distances ranging from 2.01–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mo6+, and one Fe2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mo6+, and one Fe2+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Mo6+, and one Fe2+ atom to form distorted corner-sharing OCa2FeMo tetrahedra.
DOI: 10.17188/1193485
title: Materials Data on DyVO4 by Materials Project

description: DyVO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.32 Å) and four longer (2.45 Å) Dy–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one V5+ atom.
DOI: 10.17188/1193486
title: Materials Data on CrWO4 by Materials Project

description: CrWO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight CrO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.95 Å) and four longer (2.04 Å) W–O bond length. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight WO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are two shorter (2.02 Å) and four longer (2.04 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight WO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.02 Å) and four longer (2.04 Å) Cr–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Cr2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cr2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent Cr2+ atoms.