cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1715862
title: Materials Data on Nb4Mo6I22O by Materials Project

description: Nb4Mo6OI22 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Nb4Mo6OI22 sheet oriented in the (1, 1, 0) direction. there are two inequivalent Nb+2.75+ sites. In the first Nb+2.75+ site, Nb+2.75+ is bonded to one O2- and five I1- atoms to form distorted NbI5O octahedra that share a cornercorner with one NbI5O octahedra, a cornercorner with one MoI5 square pyramid, and faces with two equivalent NbI5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Nb–O bond length is 2.09 Å. There are a spread of Nb–I bond distances ranging from 2.85–2.90 Å. In the second Nb+2.75+ site, Nb+2.75+ is bonded to one O2- and five I1- atoms to form distorted NbI5O octahedra that share a cornercorner with one NbI5O octahedra, a cornercorner with one MoI5 square pyramid, and faces with two equivalent NbI5O octahedra. The corner-sharing octahedral tilt angles are 0°. The Nb–O bond length is 2.09 Å. There are a spread of Nb–I bond distances ranging from 2.84–2.88 Å. There are three inequivalent Mo+2.17+ sites. In the first Mo+2.17+ site, Mo+2.17+ is bonded to five I1- atoms to form edge-sharing MoI5 square pyramids. There are a spread of Mo–I bond distances ranging from 2.75–2.96 Å. In the second Mo+2.17+ site, Mo+2.17+ is bonded to five I1- atoms to form distorted MoI5 square pyramids that share a cornercorner with one NbI5O octahedra and edges with four MoI5 square pyramids. The corner-sharing octahedral tilt angles are 55°. There are a spread of Mo–I bond distances ranging from 2.90–3.10 Å. In the third Mo+2.17+ site, Mo+2.17+ is bonded to five I1- atoms to form MoI5 square pyramids that share a cornercorner with one NbI5O octahedra and edges with four MoI5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are a spread of Mo–I bond distances ranging from 2.91–3.03 Å. O2- is bonded in a distorted square co-planar geometry to four Nb+2.75+ atoms. There are eleven inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to three Mo+2.17+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Mo+2.17+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three Mo+2.17+ atoms. In the fourth I1- site, I1- is bonded in a bent 120 degrees geometry to one Nb+2.75+ and one Mo+2.17+ atom. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Mo+2.17+ atom. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to three Mo+2.17+ atoms. In the seventh I1- site, I1- is bonded in a bent 120 degrees geometry to one Nb+2.75+ and one Mo+2.17+ atom. In the eighth I1- site, I1- is bonded in a 3-coordinate geometry to two Nb+2.75+ atoms. In the ninth I1- site, I1- is bonded in a 12-coordinate geometry to two Nb+2.75+ atoms. In the tenth I1- site, I1- is bonded in a 2-coordinate geometry to two Nb+2.75+ atoms. In the eleventh I1- site, I1- is bonded in a 2-coordinate geometry to two Nb+2.75+ atoms.
DOI: 10.17188/1715863
title: Materials Data on TmSiIr by Materials Project

description: TmIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Tm–Ir bond distances ranging from 2.98–3.22 Å. There are two shorter (2.89 Å) and three longer (2.97 Å) Tm–Si bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.47–2.58 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Ir atoms.
DOI: 10.17188/1715864
title: Materials Data on Li4TiCo5O12 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: 10.17188/1715866
title: Materials Data on Na2Al2B2O7 by Materials Project

description: Na2Al2B2O7 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six AlO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.40–2.50 Å. In the second Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.70–3.03 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent NaO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 65–68°. There is one shorter (1.74 Å) and three longer (1.77 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent NaO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 66–67°. There is one shorter (1.74 Å) and three longer (1.77 Å) Al–O bond length. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to three equivalent Na1+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Al3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Al3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+, one Al3+, and one B3+ atom.
DOI: 10.17188/1715869
title: Materials Data on Ti 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: 10.17188/1715870
title: Materials Data on Er5Ir2 by Materials Project

description: Er5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Er–Ir bond distances ranging from 2.73–3.28 Å. In the second Er site, Er is bonded to four equivalent Ir atoms to form distorted edge-sharing ErIr4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.92 Å) Er–Ir bond lengths. In the third Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of Er–Ir bond distances ranging from 2.84–2.99 Å. Ir is bonded in a 8-coordinate geometry to eight Er atoms.
DOI: 10.17188/1715871
title: Materials Data on Li3V4(OF3)3 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: 10.17188/1715872
title: Materials Data on Zr3BiF15 by Materials Project

description: BiZr3F15 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.02–2.08 Å. In the second Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.05–2.40 Å. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Bi–F bond distances ranging from 2.33–2.38 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Bi3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Bi3+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Zr4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one Bi3+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Zr4+ atoms.
DOI: 10.17188/1715873
title: Materials Data on ZnFe2(P2O7)2 by Materials Project

description: Fe2Zn(P2O7)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one ZnO6 pentagonal pyramid. There are a spread of Fe–O bond distances ranging from 1.93–2.15 Å. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 pentagonal pyramids that share corners with six PO4 tetrahedra and faces with two equivalent FeO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.09–2.16 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, corners with two equivalent ZnO6 pentagonal pyramids, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–45°. There are a spread of P–O bond distances ranging from 1.50–1.61 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, a cornercorner with one ZnO6 pentagonal pyramid, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–46°. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Zn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Fe3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Zn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Zn2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.
DOI: 10.17188/1715874
title: Materials Data on AsS4N3 by Materials Project

description: NSAsN2S3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four N2S3 clusters and four NSAs clusters. In each N2S3 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.64 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In each NSAs cluster, As5+ is bonded in a 1-coordinate geometry to one S2- atom. The As–S bond length is 2.34 Å. N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.63 Å. S2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N1+ atom.
DOI: 10.17188/1715876
title: Materials Data on BaO by Materials Project

description: BaO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are five inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing BaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Ba–O bond distances ranging from 2.80–2.85 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.08 Å. In the third Ba2+ site, Ba2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ba–O bond distances ranging from 2.73–2.88 Å. In the fourth Ba2+ site, Ba2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ba–O bond distances ranging from 2.74–2.88 Å. In the fifth Ba2+ site, Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.77 Å) and two longer (2.83 Å) Ba–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six Ba2+ atoms to form a mixture of edge, face, and corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to six Ba2+ atoms to form a mixture of edge, face, and corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 1–52°. In the third O2- site, O2- is bonded to six Ba2+ atoms to form a mixture of edge and corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the fourth O2- site, O2- is bonded to six Ba2+ atoms to form a mixture of edge, face, and corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 1–49°.
DOI: 10.17188/1715877
title: Materials Data on GdHCO4 by Materials Project

description: Gd(OH)CO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Gd3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.84 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Gd3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Gd3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one C4+ atom.
DOI: 10.17188/1715878
title: Materials Data on Ba3(IrN2)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: 10.17188/1715879
title: Materials Data on Fe4O7F 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: 10.17188/1715880
title: Materials Data on Er2MgS4 by Materials Project

description: MgEr2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 trigonal pyramids that share corners with three equivalent ErS6 pentagonal pyramids and a faceface with one ErS6 pentagonal pyramid. There are a spread of Mg–S bond distances ranging from 2.33–2.45 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Er–S bond distances ranging from 2.67–3.24 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form distorted ErS6 pentagonal pyramids that share corners with three equivalent MgS4 trigonal pyramids, edges with two equivalent ErS6 pentagonal pyramids, and a faceface with one MgS4 trigonal pyramid. There are a spread of Er–S bond distances ranging from 2.58–2.88 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Er3+ atoms. In the second S2- site, S2- is bonded in a T-shaped geometry to one Mg2+ and two Er3+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Er3+ atoms.
DOI: 10.17188/1715883
title: Materials Data on Pr4Co by Materials Project

description: Pr4Co is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Pr4Co clusters. Pr is bonded in a single-bond geometry to one Co atom. The Pr–Co bond length is 2.58 Å. Co is bonded in a tetrahedral geometry to four equivalent Pr atoms.
DOI: 10.17188/1715884
title: Materials Data on MgCuAu2 by Materials Project

description: MgAu2Cu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgAu2Cu ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Au atoms. Both Mg–Au bond lengths are 2.49 Å. Au is bonded in a linear geometry to one Mg and one Cu atom. The Au–Cu bond length is 2.47 Å. Cu is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1715885
title: Materials Data on Co4NiO8 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: 10.17188/1715886
title: Materials Data on BaFeS by Materials Project

description: BaFeS crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BaFeS sheet oriented in the (0, 0, 1) direction. Ba is bonded in a 4-coordinate geometry to four equivalent S atoms. All Ba–S bond lengths are 3.17 Å. Fe is bonded to four equivalent S atoms to form a mixture of corner and edge-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.24 Å. S is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Fe atoms.
DOI: 10.17188/1715887
title: Materials Data on K2Cr2(PO4)3 by Materials Project

description: K2Cr2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.88–2.99 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.13 Å. There are two inequivalent Cr+3.50+ sites. In the first Cr+3.50+ site, Cr+3.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.97 Å) and three longer (2.00 Å) Cr–O bond length. In the second Cr+3.50+ site, Cr+3.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (1.99 Å) and three longer (2.01 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four CrO6 octahedra. The corner-sharing octahedra tilt angles range from 15–50°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–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 two K1+, one Cr+3.50+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Cr+3.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Cr+3.50+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Cr+3.50+, and one P5+ atom.
DOI: 10.17188/1715888
title: Materials Data on USb2OF14 by Materials Project

description: USb2OF14 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one USb2OF14 sheet oriented in the (1, 0, 0) direction. U6+ is bonded to one O2- and six F1- atoms to form distorted UOF6 pentagonal bipyramids that share corners with four SbF6 octahedra. The corner-sharing octahedra tilt angles range from 15–27°. The U–O bond length is 1.78 Å. There are a spread of U–F bond distances ranging from 1.96–2.41 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent UOF6 pentagonal bipyramids. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent UOF6 pentagonal bipyramids. There are a spread of Sb–F bond distances ranging from 1.88–2.06 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one U6+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one U6+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one U6+ and one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom.