cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1737099
title: Materials Data on CuN by Materials Project

description: CuN crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of two CuN ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 2.01 Å. N3- is bonded in a 3-coordinate geometry to two equivalent Cu3+ and one N3- atom. The N–N bond length is 1.18 Å.
DOI: 10.17188/1737100
title: Materials Data on BaSnF4 by Materials Project

description: BaSnF4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BaSnF4 sheet oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to twelve F1- atoms. There are a spread of Ba–F bond distances ranging from 2.66–3.18 Å. Sn2+ is bonded in a distorted pentagonal planar geometry to five F1- atoms. There are one shorter (2.11 Å) and four longer (2.31 Å) Sn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to four equivalent Ba2+ and one Sn2+ atom.
DOI: 10.17188/1737101
title: Materials Data on Gd(CuSn)2 by Materials Project

description: GdCu2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.34 Å) and four longer (3.39 Å) Gd–Cu bond lengths. There are four shorter (3.32 Å) and four longer (3.55 Å) Gd–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Gd and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.58 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Gd and five Sn atoms. There are one shorter (2.50 Å) and four longer (2.63 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Gd and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Gd and five Cu atoms.
DOI: 10.17188/1737102
title: Materials Data on Sm2HfS5 by Materials Project

description: Sm2HfS5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.02 Å. Hf4+ is bonded to seven S2- atoms to form distorted edge-sharing HfS7 pentagonal bipyramids. There are a spread of Hf–S bond distances ranging from 2.53–2.70 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Sm3+ and two equivalent Hf4+ atoms to form distorted SSm2Hf2 trigonal pyramids that share corners with four equivalent SSm4Hf square pyramids, corners with four SSm4Hf trigonal bipyramids, corners with six equivalent SSm2Hf2 trigonal pyramids, an edgeedge with one SSm4Hf square pyramid, edges with four SSm4Hf trigonal bipyramids, and an edgeedge with one SSm2Hf2 trigonal pyramid. In the second S2- site, S2- is bonded to four equivalent Sm3+ and one Hf4+ atom to form distorted SSm4Hf trigonal bipyramids that share corners with five equivalent SSm4Hf square pyramids, corners with five SSm4Hf trigonal bipyramids, corners with four equivalent SSm2Hf2 trigonal pyramids, edges with two equivalent SSm4Hf square pyramids, edges with four equivalent SSm4Hf trigonal bipyramids, and edges with four equivalent SSm2Hf2 trigonal pyramids. In the third S2- site, S2- is bonded to four equivalent Sm3+ and one Hf4+ atom to form distorted SSm4Hf square pyramids that share corners with nine SSm4Hf trigonal bipyramids, corners with eight equivalent SSm2Hf2 trigonal pyramids, edges with two equivalent SSm4Hf square pyramids, edges with three SSm4Hf trigonal bipyramids, edges with two equivalent SSm2Hf2 trigonal pyramids, and a faceface with one SSm4Hf trigonal bipyramid. In the fourth S2- site, S2- is bonded to four equivalent Sm3+ and one Hf4+ atom to form distorted SSm4Hf trigonal bipyramids that share corners with four equivalent SSm4Hf square pyramids, corners with five SSm4Hf trigonal bipyramids, corners with four equivalent SSm2Hf2 trigonal pyramids, an edgeedge with one SSm4Hf square pyramid, edges with four equivalent SSm4Hf trigonal bipyramids, edges with four equivalent SSm2Hf2 trigonal pyramids, and a faceface with one SSm4Hf square pyramid.
DOI: 10.17188/1737103
title: Materials Data on HRuRh(CO)6 by Materials Project

description: RhRu2RhH2(CO)12 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-four formaldehyde molecules, two rhodium molecules, and two Ru2RhH2 clusters. In each Ru2RhH2 cluster, there are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Ru–H bond length. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.83 Å. Rh3+ is bonded in a distorted single-bond geometry to one H1+ atom. The Rh–H bond length is 1.78 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to one Ru2+ and one Rh3+ atom. In the second H1+ site, H1+ is bonded in a bent 120 degrees geometry to two Ru2+ atoms.
DOI: 10.17188/1737104
title: Materials Data on TaTiB4 by Materials Project

description: TiB2.TaB2 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti3+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent TaB12 cuboctahedra, faces with two equivalent TaB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.38 Å. Ta3+ is bonded to twelve equivalent B+1.50- atoms to form TaB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent TaB12 cuboctahedra. All Ta–B bond lengths are 2.44 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti3+, three equivalent Ta3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.
DOI: 10.17188/1737105
title: Materials Data on Ho3(Co2Sn)4 by Materials Project

description: Ho3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Ho–Co bond distances ranging from 3.03–3.38 Å. There are a spread of Ho–Sn bond distances ranging from 3.16–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Ho and four Sn atoms. There are three shorter (2.51 Å) and one longer (2.65 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Ho, seven Co, and three equivalent Sn atoms to form distorted CoHo2Co7Sn3 cuboctahedra that share corners with four equivalent CoHo2Co7Sn3 cuboctahedra, corners with five equivalent SnHo4Co8 cuboctahedra, faces with six equivalent SnHo4Co8 cuboctahedra, and faces with eight CoHo2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.64 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ho, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.65–2.79 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnHo4Co8 cuboctahedra, faces with six equivalent SnHo4Co8 cuboctahedra, and faces with eight CoHo2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.67 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Ho and eight Co atoms to form distorted SnHo4Co8 cuboctahedra that share corners with four equivalent SnHo4Co8 cuboctahedra, corners with six CoHo2Co7Sn3 cuboctahedra, faces with eight CoHo2Co7Sn3 cuboctahedra, and faces with eight equivalent SnHo4Co8 cuboctahedra.
DOI: 10.17188/1737106
title: Materials Data on Ca3Si3(MoO6)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: 10.17188/1737107
title: Materials Data on Ba2CdAs2 by Materials Project

description: Ba2CdAs2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five As3- atoms to form BaAs5 trigonal bipyramids that share corners with four equivalent CdAs4 tetrahedra, corners with eleven BaAs5 trigonal bipyramids, edges with three equivalent CdAs4 tetrahedra, and edges with four BaAs5 trigonal bipyramids. There are a spread of Ba–As bond distances ranging from 3.25–3.46 Å. In the second Ba2+ site, Ba2+ is bonded to five As3- atoms to form distorted BaAs5 trigonal bipyramids that share corners with two equivalent CdAs4 tetrahedra, corners with eleven BaAs5 trigonal bipyramids, edges with four equivalent CdAs4 tetrahedra, and edges with six BaAs5 trigonal bipyramids. There are a spread of Ba–As bond distances ranging from 3.23–3.41 Å. Cd2+ is bonded to four As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with six BaAs5 trigonal bipyramids, and edges with seven BaAs5 trigonal bipyramids. There are a spread of Cd–As bond distances ranging from 2.78–3.00 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to six Ba2+ and two equivalent Cd2+ atoms. In the second As3- site, As3- is bonded to four Ba2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing AsBa4Cd2 octahedra. The corner-sharing octahedral tilt angles are 68°.
DOI: 10.17188/1737108
title: Materials Data on Re3Cl9O5 by Materials Project

description: Re3O5Cl9 crystallizes in the orthorhombic Ama2 space group. The structure is two-dimensional and consists of two Re3O5Cl9 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Re+6.33+ sites. In the first Re+6.33+ site, Re+6.33+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.68 Å. There are a spread of Re–Cl bond distances ranging from 2.27–2.55 Å. In the second Re+6.33+ site, Re+6.33+ is bonded in a 5-coordinate geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.69 Å. There are a spread of Re–Cl bond distances ranging from 2.27–2.50 Å. In the third Re+6.33+ site, Re+6.33+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four Cl1- atoms. The Re–O bond length is 1.69 Å. There are a spread of Re–Cl bond distances ranging from 2.28–2.47 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re+6.33+ and two equivalent O2- atoms. Both O–O bond lengths are 3.10 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Re+6.33+ and two equivalent O2- atoms. Both O–O bond lengths are 3.02 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Re+6.33+ and two equivalent O2- atoms. Both O–O bond lengths are 2.96 Å. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three O2- atoms. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.33+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.33+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re+6.33+ atom. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Re+6.33+ atoms. In the fifth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Re+6.33+ atoms. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Re+6.33+ atoms.
DOI: 10.17188/1737109
title: Materials Data on NbTc by Materials Project

description: NbTc crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two NbTc sheets oriented in the (0, 1, 0) direction. Nb3+ is bonded in a 4-coordinate geometry to four equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.73 Å. Tc3- is bonded in a 4-coordinate geometry to four equivalent Nb3+ atoms.
DOI: 10.17188/1737110
title: Materials Data on RbCrP2O7 by Materials Project

description: RbCrP2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.31 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.04 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 CrO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–47°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent CrO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–52°. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Cr3+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Rb1+ and two P5+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one Rb1+, one Cr3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Cr3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cr3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Cr3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cr3+, and one P5+ atom.
DOI: 10.17188/1737111
title: Materials Data on Pr2Ta2O9 by Materials Project

description: Pr2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.40–2.62 Å. Ta5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–13°. There are a spread of Ta–O bond distances ranging from 1.91–2.22 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Pr4+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Pr4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Pr4+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Pr4+ and one Ta5+ atom.
DOI: 10.17188/1737112
title: Materials Data on Th(GeO)2 by Materials Project

description: Th(GeO)2 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight Th(GeO)2 clusters. Th is bonded in a linear geometry to two equivalent O atoms. Both Th–O bond lengths are 2.14 Å. Ge is bonded in a distorted single-bond geometry to one O atom. The Ge–O bond length is 1.82 Å. O is bonded in a bent 150 degrees geometry to one Th and one Ge atom.
DOI: 10.17188/1737114
title: Materials Data on Tl3Ag by Materials Project

description: AgTl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Tl atoms to form AgTl12 cuboctahedra that share corners with four equivalent AgTl12 cuboctahedra, corners with eight equivalent TlTl8Ag4 cuboctahedra, edges with eight equivalent AgTl12 cuboctahedra, edges with sixteen equivalent TlTl8Ag4 cuboctahedra, faces with four equivalent AgTl12 cuboctahedra, and faces with fourteen TlTl8Ag4 cuboctahedra. There are four shorter (3.32 Å) and eight longer (3.45 Å) Ag–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Ag and eight Tl atoms to form TlTl8Ag4 cuboctahedra that share corners with twelve equivalent TlTl8Ag4 cuboctahedra, edges with eight equivalent AgTl12 cuboctahedra, edges with sixteen TlTl8Ag4 cuboctahedra, faces with four equivalent AgTl12 cuboctahedra, and faces with fourteen TlTl8Ag4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.45 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to four equivalent Ag and eight equivalent Tl atoms to form distorted TlTl8Ag4 cuboctahedra that share corners with four equivalent TlTl8Ag4 cuboctahedra, corners with eight equivalent AgTl12 cuboctahedra, edges with twenty-four TlTl8Ag4 cuboctahedra, faces with six equivalent AgTl12 cuboctahedra, and faces with twelve TlTl8Ag4 cuboctahedra.
DOI: 10.17188/1737115
title: Materials Data on SrLa3MnO12 by Materials Project

description: SrLa3MnO12 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, corners with six equivalent LaO12 cuboctahedra, faces with six LaO12 cuboctahedra, and faces with three equivalent MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.66–2.84 Å. There are three inequivalent La sites. In the first La site, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, corners with six equivalent LaO12 cuboctahedra, faces with six LaO12 cuboctahedra, and a faceface with one MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.59–2.76 Å. In the second La site, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve LaO12 cuboctahedra, faces with three equivalent SrO12 cuboctahedra, faces with three equivalent LaO12 cuboctahedra, and a faceface with one MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.59–2.75 Å. In the third La site, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve LaO12 cuboctahedra, faces with three equivalent SrO12 cuboctahedra, faces with three equivalent LaO12 cuboctahedra, and faces with three equivalent MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.54–2.84 Å. Mn is bonded to six O atoms to form MnO6 octahedra that share faces with three equivalent SrO12 cuboctahedra and faces with five LaO12 cuboctahedra. There is three shorter (1.83 Å) and three longer (1.94 Å) Mn–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Sr, two La, and one Mn atom. In the second O site, O is bonded in a rectangular see-saw-like geometry to four La atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Sr, three La, and one Mn atom. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to one Sr and three La atoms.
DOI: 10.17188/1737116
title: Materials Data on Sn4P3C(NO4)3 by Materials Project

description: CN3Sn4(PO4)3 crystallizes in the tetragonal P4_3 space group. The structure is three-dimensional and consists of four guanidine molecules and one Sn4(PO4)3 framework. In the Sn4(PO4)3 framework, there are four inequivalent Sn+3.50+ sites. In the first Sn+3.50+ site, Sn+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.13 Å. In the second Sn+3.50+ site, Sn+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.12 Å. In the third Sn+3.50+ site, Sn+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.06–2.11 Å. In the fourth Sn+3.50+ site, Sn+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.08 Å) and two longer (2.12 Å) Sn–O bond lengths. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+3.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+3.50+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+3.50+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+3.50+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+3.50+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+3.50+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+3.50+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+3.50+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+3.50+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+3.50+ and one P5+ atom.