cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1326321
title: Materials Data on ZrC by Materials Project

description: ZrC is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All Zr–C bond lengths are 2.54 Å. C4- is bonded in a body-centered cubic geometry to eight equivalent Zr4+ atoms.
DOI: 10.17188/1326322
title: Materials Data on ZrN by Materials Project

description: ZrN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr3+ is bonded to four equivalent N3- atoms to form corner-sharing ZrN4 tetrahedra. All Zr–N bond lengths are 2.16 Å. N3- is bonded to four equivalent Zr3+ atoms to form corner-sharing NZr4 tetrahedra.
DOI: 10.17188/1326323
title: Materials Data on ZrC by Materials Project

description: ZrC is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr4+ is bonded to four equivalent C4- atoms to form corner-sharing ZrC4 tetrahedra. All Zr–C bond lengths are 2.21 Å. C4- is bonded to four equivalent Zr4+ atoms to form corner-sharing CZr4 tetrahedra.
DOI: 10.17188/1326838
title: Materials Data on Br by Materials Project

description: Br crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Br sheets oriented in the (0, 0, 1) direction. Br is bonded in a square co-planar geometry to four equivalent Br atoms. All Br–Br bond lengths are 2.87 Å.
DOI: 10.17188/1326839
title: Materials Data on CrCo by Materials Project

description: CoCr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Cr–Co bond lengths are 2.47 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Cr atoms.
DOI: 10.17188/1326840
title: Materials Data on Cu by Materials Project

description: Cu crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.49 Å.
DOI: 10.17188/1326841
title: Materials Data on DyAs by Materials Project

description: DyAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Dy–As bond lengths are 3.10 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Dy3+ atoms.
DOI: 10.17188/1327476
title: Materials Data on MgNi by Materials Project

description: MgNi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mg–Ni bond lengths are 2.64 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1327477
title: Materials Data on PrBi by Materials Project

description: PrBi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Bi atoms. All Pr–Bi bond lengths are 3.47 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1327484
title: Materials Data on EuFeO3 by Materials Project

description: EuFeO3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.80 Å. Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 22–28°. There are four shorter (1.99 Å) and two longer (2.01 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+ and two equivalent Fe3+ atoms.
DOI: 10.17188/1327851
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three CeSe2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded to six Se2- atoms to form distorted edge-sharing CeSe6 pentagonal pyramids. There are three shorter (2.89 Å) and three longer (2.90 Å) Ce–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.
DOI: 10.17188/1327852
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a distorted q6 geometry to ten equivalent Se2- atoms. There are eight shorter (3.08 Å) and two longer (3.27 Å) Ce–Se bond lengths. Se2- is bonded in a 10-coordinate geometry to five equivalent Ce4+ atoms.
DOI: 10.17188/1327853
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce4+ is bonded to twelve equivalent Se2- atoms to form a mixture of edge and face-sharing CeSe12 cuboctahedra. All Ce–Se bond lengths are 3.30 Å. Se2- is bonded in a 9-coordinate geometry to six equivalent Ce4+ and three equivalent Se2- atoms. All Se–Se bond lengths are 2.77 Å.
DOI: 10.17188/1327854
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Titanium Disilicide structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Se2- atoms. There are four shorter (2.99 Å) and four longer (3.04 Å) Ce–Se bond lengths. Se2- is bonded in a 4-coordinate geometry to four equivalent Ce4+ atoms.
DOI: 10.17188/1327938
title: Materials Data on Cs2Se by Materials Project

description: Cs2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CsSe4 tetrahedra. All Cs–Se bond lengths are 3.68 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.
DOI: 10.17188/1327939
title: Materials Data on Cs2Se by Materials Project

description: Cs2Se is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.71–4.24 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CsSe4 tetrahedra. There are a spread of Cs–Se bond distances ranging from 3.59–3.64 Å. Se2- is bonded in a 9-coordinate geometry to nine Cs1+ atoms.
DOI: 10.17188/1327940
title: Materials Data on Cs2Se by Materials Project

description: Cs2Se is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Cs1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.41 Å. Se2- is bonded to four equivalent Cs1+ atoms to form corner-sharing SeCs4 tetrahedra.
DOI: 10.17188/1327941
title: Materials Data on Cs2Se by Materials Project

description: Cs2Se is Cotunnite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.67–4.13 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CsSe4 tetrahedra. There are a spread of Cs–Se bond distances ranging from 3.58–3.66 Å. Se2- is bonded in a 8-coordinate geometry to eight Cs1+ atoms.
DOI: 10.17188/1327942
title: Materials Data on Mn2AlO4 by Materials Project

description: Mn2AlO4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn+2.50+ sites. In the first Mn+2.50+ site, Mn+2.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six MnO6 octahedra. There are four shorter (2.08 Å) and two longer (2.19 Å) Mn–O bond lengths. In the second Mn+2.50+ site, Mn+2.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Mn–O bond lengths are 2.17 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve MnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–57°. There is one shorter (1.79 Å) and three longer (1.84 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mn+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Mn+2.50+ and one Al3+ atom.
DOI: 10.17188/1327943
title: Materials Data on Cs2Se by Materials Project

description: Cs2Se crystallizes in the orthorhombic P222_1 space group. The structure is two-dimensional and consists of one Cs2Se sheet oriented in the (0, 1, 0) direction. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (3.55 Å) and two longer (3.64 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.65 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.67 Å. Se2- is bonded in a 5-coordinate geometry to five Cs1+ atoms.
DOI: 10.17188/1328092
title: Materials Data on Na2CoP2O7 by Materials Project

description: Na2CoP2O7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first 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 2.54–2.94 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.21–2.69 Å. Co2+ is bonded to five O2- atoms to form CoO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.00–2.11 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 a cornercorner with one PO4 tetrahedra and corners with three equivalent CoO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent CoO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Co2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Co2+, and one P5+ atom.
DOI: 10.17188/1328093
title: Materials Data on Na2CoP2O7 by Materials Project

description: Na2CoP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–3.00 Å. In the second 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 2.42–2.76 Å. Co2+ is bonded to five O2- atoms to form CoO5 trigonal bipyramids that share corners with five PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.99–2.17 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 a cornercorner with one PO4 tetrahedra and corners with two equivalent CoO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.66 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with three equivalent CoO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Co2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Co2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+, one Co2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Co2+, and one P5+ atom.
DOI: 10.17188/1328160
title: Materials Data on V2NiO6 by Materials Project

description: NiV2O6 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Ni2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.94–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms.
DOI: 10.17188/1328161
title: Materials Data on Cs by Materials Project

description: Cs is beta Np structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to six equivalent Cs atoms. There are a spread of Cs–Cs bond distances ranging from 5.20–5.48 Å.
DOI: 10.17188/1328849
title: Materials Data on PbS by Materials Project

description: PbS is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.84 Å) and three longer (3.31 Å) Pb–S bond lengths. S2- is bonded in a 6-coordinate geometry to six equivalent Pb2+ atoms.
DOI: 10.17188/1328971
title: Materials Data on BaBrCl by Materials Project

description: BaBrCl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent Cl1- atoms. There are a spread of Ba–Br bond distances ranging from 3.40–3.61 Å. There are a spread of Ba–Cl bond distances ranging from 3.15–3.19 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Cl1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra.
DOI: 10.17188/1328977
title: Materials Data on LiMo2P2O9 by Materials Project

description: LiMo2P2O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.70 Å. There are two inequivalent Mo+3.50+ sites. In the first Mo+3.50+ site, Mo+3.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with three equivalent PO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mo–O bond distances ranging from 1.96–2.16 Å. In the second Mo+3.50+ site, Mo+3.50+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with four PO4 tetrahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mo–O bond distances ranging from 2.14–2.17 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 five MoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–51°. There is three shorter (1.53 Å) and one longer (1.57 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 two equivalent MoO6 octahedra and an edgeedge with one MoO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo+3.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mo+3.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mo+3.50+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Mo+3.50+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Mo+3.50+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mo+3.50+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo+3.50+ and one P5+ atom.
DOI: 10.17188/1328978
title: Materials Data on Na3Ti2(GeO4)3 by Materials Project

description: Na3Ti2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.59 Å) Na–O bond lengths. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.97 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ge–O bond lengths are 1.78 Å. O is bonded to two equivalent Na, one Ti, and one Ge atom to form a mixture of distorted edge and corner-sharing ONa2TiGe trigonal pyramids.
DOI: 10.17188/1328980
title: Materials Data on Na3V2(GeO4)3 by Materials Project

description: Na3V2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.41 Å) and four longer (2.57 Å) Na–O bond lengths. V+4.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All V–O bond lengths are 1.93 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ge–O bond lengths are 1.78 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one V+4.50+, and one Ge4+ atom.
DOI: 10.17188/1328983
title: Materials Data on H6RuCI3N by Materials Project

description: RuI3CH3NH3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of four methylammonium molecules and one RuI3 sheet oriented in the (0, 0, 1) direction. In the RuI3 sheet, there are four inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to five I1- atoms to form distorted corner-sharing RuI5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 4–30°. There are a spread of Ru–I bond distances ranging from 2.73–2.79 Å. In the second Ru4+ site, Ru4+ is bonded to five I1- atoms to form distorted corner-sharing RuI5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 7–30°. There are a spread of Ru–I bond distances ranging from 2.70–2.82 Å. In the third Ru4+ site, Ru4+ is bonded to six I1- atoms to form corner-sharing RuI6 octahedra. There are a spread of Ru–I bond distances ranging from 2.74–2.85 Å. In the fourth Ru4+ site, Ru4+ is bonded to six I1- atoms to form corner-sharing RuI6 octahedra. There are a spread of Ru–I bond distances ranging from 2.72–2.86 Å. There are twelve inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two Ru4+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Ru4+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ru4+ atom. In the fourth I1- site, I1- is bonded in a linear geometry to two Ru4+ atoms. In the fifth I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the sixth I1- site, I1- is bonded in a 2-coordinate geometry to two Ru4+ atoms. In the seventh I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the eighth I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the ninth I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the tenth I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the eleventh I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms. In the twelfth I1- site, I1- is bonded in a bent 150 degrees geometry to two Ru4+ atoms.