cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1298299
title: Materials Data on Li2BiS3 by Materials Project

description: Li2BiS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five S+1.67- atoms to form LiS5 trigonal bipyramids that share corners with two equivalent BiS6 octahedra, corners with three equivalent LiS4 tetrahedra, corners with two equivalent LiS5 trigonal bipyramids, edges with four equivalent BiS6 octahedra, an edgeedge with one LiS4 tetrahedra, and edges with three equivalent LiS5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 21–73°. There are a spread of Li–S bond distances ranging from 2.48–2.86 Å. In the second Li1+ site, Li1+ is bonded to four S+1.67- atoms to form distorted LiS4 tetrahedra that share corners with four equivalent BiS6 octahedra, corners with three equivalent LiS5 trigonal bipyramids, edges with two equivalent BiS6 octahedra, an edgeedge with one LiS4 tetrahedra, and an edgeedge with one LiS5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 10–86°. There are a spread of Li–S bond distances ranging from 2.39–2.64 Å. Bi3+ is bonded to six S+1.67- atoms to form distorted BiS6 octahedra that share corners with two equivalent BiS6 octahedra, corners with four equivalent LiS4 tetrahedra, corners with two equivalent LiS5 trigonal bipyramids, edges with two equivalent BiS6 octahedra, edges with two equivalent LiS4 tetrahedra, and edges with four equivalent LiS5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. There are a spread of Bi–S bond distances ranging from 2.69–3.33 Å. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent Bi3+ atoms. In the second S+1.67- site, S+1.67- is bonded to three Li1+ and two equivalent Bi3+ atoms to form distorted SLi3Bi2 square pyramids that share a cornercorner with one SLi4Bi2 octahedra, corners with two equivalent SLi3Bi2 square pyramids, edges with five equivalent SLi4Bi2 octahedra, and an edgeedge with one SLi3Bi2 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the third S+1.67- site, S+1.67- is bonded to four Li1+ and two equivalent Bi3+ atoms to form distorted SLi4Bi2 octahedra that share corners with two equivalent SLi4Bi2 octahedra, a cornercorner with one SLi3Bi2 square pyramid, edges with three equivalent SLi4Bi2 octahedra, and edges with five equivalent SLi3Bi2 square pyramids. The corner-sharing octahedral tilt angles are 12°.
DOI: 10.17188/1298300
title: Materials Data on SmTaO4 by Materials Project

description: SmTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.60 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 15–40°. There are a spread of Ta–O bond distances ranging from 1.92–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to three equivalent Sm3+ and one Ta5+ atom to form corner-sharing OSm3Ta tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms.
DOI: 10.17188/1298301
title: Materials Data on YHO2 by Materials Project

description: YHO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.31 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded to three equivalent Y3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OY3H tetrahedra.
DOI: 10.17188/1298302
title: Materials Data on Rb3SbO3 by Materials Project

description: Rb3SbO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.93 Å) and three longer (3.10 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.92 Å) and three longer (3.14 Å) Rb–O bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.97 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sb3+ atom.
DOI: 10.17188/1298303
title: Materials Data on La2HfO5 by Materials Project

description: La2HfO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 hexagonal pyramids that share corners with three equivalent HfO5 trigonal bipyramids, edges with two equivalent LaO7 hexagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of La–O bond distances ranging from 2.42–2.59 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.58 Å. Hf4+ is bonded to five O2- atoms to form distorted HfO5 trigonal bipyramids that share corners with three equivalent LaO7 hexagonal pyramids, corners with two equivalent HfO5 trigonal bipyramids, and edges with two equivalent LaO7 hexagonal pyramids. There are a spread of Hf–O bond distances ranging from 1.94–2.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Hf4+ atom. In the third O2- site, O2- is bonded to three La3+ and one Hf4+ atom to form OLa3Hf tetrahedra that share corners with eight OLa4 tetrahedra and edges with two equivalent OLa3Hf tetrahedra. In the fourth O2- site, O2- is bonded to three La3+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OLa3Hf tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two La3+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1298304
title: Materials Data on Gd2HfO5 by Materials Project

description: Gd2HfO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 hexagonal pyramids that share corners with two equivalent GdO7 hexagonal pyramids, corners with three equivalent HfO5 trigonal bipyramids, edges with five GdO7 hexagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.35–2.43 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 hexagonal pyramids that share corners with two equivalent GdO7 hexagonal pyramids, a cornercorner with one HfO5 trigonal bipyramid, edges with seven GdO7 hexagonal pyramids, and edges with two equivalent HfO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.39–2.45 Å. Hf4+ is bonded to five O2- atoms to form distorted HfO5 trigonal bipyramids that share corners with four GdO7 hexagonal pyramids, corners with two equivalent HfO5 trigonal bipyramids, and edges with four GdO7 hexagonal pyramids. There are a spread of Hf–O bond distances ranging from 1.94–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Hf4+ atom. In the third O2- site, O2- is bonded to three Gd3+ and one Hf4+ atom to form distorted OGd3Hf tetrahedra that share corners with nine OGd4 tetrahedra and edges with five OGd3Hf tetrahedra. In the fourth O2- site, O2- is bonded to two Gd3+ and two equivalent Hf4+ atoms to form distorted OGd2Hf2 tetrahedra that share corners with six OGd4 tetrahedra and edges with five OGd3Hf tetrahedra. In the fifth O2- site, O2- is bonded to three Gd3+ and one Hf4+ atom to form OGd3Hf tetrahedra that share corners with nine OGd4 tetrahedra and edges with four OGd3Hf tetrahedra.
DOI: 10.17188/1298305
title: Materials Data on BaY2F8 by Materials Project

description: BaY2F8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ba2+ is bonded to twelve F1- atoms to form face-sharing BaF12 cuboctahedra. There are a spread of Ba–F bond distances ranging from 2.76–2.99 Å. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Y–F bond distances ranging from 2.27–2.35 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Y3+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Y3+ atoms.
DOI: 10.17188/1298306
title: Materials Data on Dy2Ge2O7 by Materials Project

description: Dy2Ge2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent DyO6 pentagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.25–2.31 Å. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent DyO6 pentagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.26–2.34 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six DyO6 pentagonal pyramids and a cornercorner with one GeO4 tetrahedra. All Ge–O bond lengths are 1.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Dy3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1298307
title: Materials Data on PtO3 by Materials Project

description: PtO3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the second Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the third Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. In the fourth Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms.
DOI: 10.17188/1298308
title: Materials Data on Tm2TiO5 by Materials Project

description: Tm2TiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form distorted TmO6 octahedra that share corners with two equivalent TmO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with six TmO6 octahedra. The corner-sharing octahedra tilt angles range from 58–66°. There are a spread of Tm–O bond distances ranging from 2.26–2.29 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with four TmO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with four TmO6 octahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Tm–O bond distances ranging from 2.18–2.31 Å. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with eight TmO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–66°. There are a spread of Ti–O bond distances ranging from 1.85–2.36 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tm3+ atoms to form OTm4 tetrahedra that share corners with ten OTm4 tetrahedra and edges with three OTm3Ti tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Ti4+ atoms. In the third O2- site, O2- is bonded to three Tm3+ and one Ti4+ atom to form a mixture of distorted edge and corner-sharing OTm3Ti tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Tm3+ and one Ti4+ atom to form a mixture of edge and corner-sharing OTm3Ti tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ti4+ atom.
DOI: 10.17188/1298309
title: Materials Data on PtO3 by Materials Project

description: PtO3 is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Pt–O bond lengths are 1.97 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Pt6+ atoms.
DOI: 10.17188/1298310
title: Materials Data on LiPrPCO7 by Materials Project

description: LiPrCPO7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.66 Å. Pr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pr–O bond distances ranging from 2.30–2.71 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.29 Å) C–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, one Pr4+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Pr4+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Pr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pr4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Pr4+, and one P5+ atom.
DOI: 10.17188/1298311
title: Materials Data on Na5Bi2As(CO4)4 by Materials Project

description: Na5Bi2As(CO4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with four equivalent NaO6 octahedra, edges with two BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–88°. There are a spread of Na–O bond distances ranging from 2.26–2.72 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with four equivalent NaO6 octahedra, edges with two BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–88°. There are a spread of Na–O bond distances ranging from 2.27–2.72 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.74 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share edges with four NaO6 octahedra. There are four shorter (2.38 Å) and two longer (2.40 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share edges with four NaO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.37–2.39 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share edges with four NaO6 octahedra. There is two shorter (1.71 Å) and two longer (1.75 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one C4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one C4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one C4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one C4+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to two Na1+ and one As5+ atom. In the sixth O2- site, O2- is bonded to three Na1+ and one As5+ atom to form edge-sharing ONa3As trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one C4+, and one Bi3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one C4+, and one Bi3+ atom.
DOI: 10.17188/1298312
title: Materials Data on Gd3AsO7 by Materials Project

description: Gd3AsO7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.32–2.92 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent AsO6 octahedra, corners with three equivalent GdO7 pentagonal bipyramids, edges with two equivalent AsO6 octahedra, and edges with two equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 34–38°. There are a spread of Gd–O bond distances ranging from 2.24–2.54 Å. As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with two equivalent AsO6 octahedra, corners with four equivalent GdO7 pentagonal bipyramids, and edges with four equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of As–O bond distances ranging from 1.84–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Gd3+ and two equivalent As5+ atoms. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.
DOI: 10.17188/1298315
title: Materials Data on V3F10 by Materials Project

description: V3F10 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are three inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to seven F1- atoms to form VF7 pentagonal bipyramids that share corners with three VF7 pentagonal bipyramids, an edgeedge with one VF6 octahedra, and an edgeedge with one VF7 pentagonal bipyramid. There are a spread of V–F bond distances ranging from 1.96–2.08 Å. In the second V+3.33+ site, V+3.33+ is bonded to six F1- atoms to form distorted VF6 octahedra that share corners with two equivalent VF6 octahedra, corners with two equivalent VF7 pentagonal bipyramids, and an edgeedge with one VF7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 8°. There are a spread of V–F bond distances ranging from 1.96–2.06 Å. In the third V+3.33+ site, V+3.33+ is bonded to seven F1- atoms to form VF7 pentagonal bipyramids that share corners with two equivalent VF6 octahedra, corners with three VF7 pentagonal bipyramids, and an edgeedge with one VF7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 4–48°. There are a spread of V–F bond distances ranging from 1.92–2.05 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two V+3.33+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two V+3.33+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.33+ atoms. In the fourth F1- site, F1- is bonded in a water-like geometry to two V+3.33+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two V+3.33+ atoms. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent V+3.33+ atoms. In the seventh F1- site, F1- is bonded in a linear geometry to two equivalent V+3.33+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two equivalent V+3.33+ atoms. In the ninth F1- site, F1- is bonded in a water-like geometry to two V+3.33+ atoms. In the tenth F1- site, F1- is bonded in a water-like geometry to two V+3.33+ atoms.