cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207537
title: Materials Data on Ba3(PO4)2 by Materials Project

description: Ba3(PO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.99 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent BaO12 cuboctahedra and edges with six equivalent PO4 tetrahedra. There are six shorter (2.78 Å) and six longer (3.28 Å) Ba–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share edges with three equivalent BaO12 cuboctahedra. There is one shorter (1.55 Å) and three longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one P5+ atom.
DOI: 10.17188/1207538
title: Materials Data on NaTaO3 by Materials Project

description: NaTaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.76 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 20–21°. There is one shorter (1.99 Å) and five longer (2.00 Å) Ta–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1207540
title: Materials Data on Ca2B2O5 by Materials Project

description: Ca2B2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Ca–O bond distances ranging from 2.31–2.45 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.66 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.44 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and two B3+ atoms. In the third O2- site, O2- is bonded to three Ca2+ and one B3+ atom to form distorted edge-sharing OCa3B tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one B3+ atom.
DOI: 10.17188/1207541
title: Materials Data on Sm2AsSe by Materials Project

description: Sm2AsSe is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are five inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing SmAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (2.91 Å) and two longer (2.97 Å) Sm–As bond lengths. There are two shorter (2.97 Å) and one longer (3.04 Å) Sm–Se bond lengths. In the second Sm+2.50+ site, Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing SmAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (2.91 Å) and two longer (2.97 Å) Sm–As bond lengths. There are two shorter (2.97 Å) and one longer (3.04 Å) Sm–Se bond lengths. In the third Sm+2.50+ site, Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing SmAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (2.91 Å) and two longer (2.97 Å) Sm–As bond lengths. There are two shorter (2.97 Å) and one longer (3.04 Å) Sm–Se bond lengths. In the fourth Sm+2.50+ site, Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing SmAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (2.91 Å) and two longer (2.97 Å) Sm–As bond lengths. There are two shorter (2.97 Å) and one longer (3.04 Å) Sm–Se bond lengths. In the fifth Sm+2.50+ site, Sm+2.50+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing SmAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are one shorter (2.91 Å) and two longer (2.97 Å) Sm–As bond lengths. There are two shorter (2.97 Å) and one longer (3.04 Å) Sm–Se bond lengths. As3- is bonded to six Sm+2.50+ atoms to form AsSm6 octahedra that share corners with two equivalent SeSm6 octahedra, corners with four equivalent AsSm6 octahedra, edges with four equivalent AsSm6 octahedra, and edges with eight equivalent SeSm6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Se2- is bonded to six Sm+2.50+ atoms to form SeSm6 octahedra that share corners with two equivalent AsSm6 octahedra, corners with four equivalent SeSm6 octahedra, edges with four equivalent SeSm6 octahedra, and edges with eight equivalent AsSm6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
DOI: 10.17188/1207542
title: Materials Data on Sn(BiTe2)2 by Materials Project

description: SnBi2Te4 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SnBi2Te4 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded to six equivalent Te2- atoms to form SnTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with six equivalent SnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–Te bond lengths are 3.20 Å. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with three equivalent SnTe6 octahedra, edges with three equivalent SnTe6 octahedra, and edges with six equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (3.09 Å) and three longer (3.30 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Sn2+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing TeSn3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1207543
title: Materials Data on Al(MoS2)4 by Materials Project

description: Al(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+3.25+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with three equivalent AlS4 tetrahedra and edges with six equivalent MoS6 octahedra. There are three shorter (2.35 Å) and three longer (2.62 Å) Mo–S bond lengths. Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with twelve equivalent MoS6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Al–S bond lengths are 2.29 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Mo+3.25+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing SAlMo3 tetrahedra. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+3.25+ atoms.
DOI: 10.17188/1207544
title: Materials Data on Ca(AlGe)2 by Materials Project

description: CaAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Ge atoms to form CaGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent CaGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Ca–Ge bond lengths are 3.06 Å. Al is bonded to four equivalent Ge atoms to form AlGe4 tetrahedra that share corners with six equivalent CaGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent CaGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–53°. There are three shorter (2.56 Å) and one longer (2.65 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Ca and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeCa3Al4 pentagonal bipyramids.
DOI: 10.17188/1207545
title: Materials Data on Rb(WO3)6 by Materials Project

description: Rb(WO3)6 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with twelve WO6 octahedra. All Rb–O bond lengths are 3.36 Å. There are two inequivalent W+5.83+ sites. In the first W+5.83+ site, W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. In the second W+5.83+ site, W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent RbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two W+5.83+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two W+5.83+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two equivalent W+5.83+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms.
DOI: 10.17188/1207546
title: Materials Data on Pr2Co7B3 by Materials Project

description: Pr2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to two Pr, twelve Co, and six equivalent B atoms. There are one shorter (3.06 Å) and one longer (3.31 Å) Pr–Pr bond lengths. There are six shorter (2.89 Å) and six longer (3.03 Å) Pr–Co bond lengths. All Pr–B bond lengths are 2.98 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to two equivalent Pr, twelve equivalent Co, and six equivalent B atoms. All Pr–Co bond lengths are 2.96 Å. All Pr–B bond lengths are 2.97 Å. In the third Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Pr and six equivalent Co atoms. All Pr–Co bond lengths are 2.97 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Pr, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.49 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four Pr and four B atoms. There are two shorter (2.09 Å) and two longer (2.10 Å) Co–B bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Pr and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Co atoms.
DOI: 10.17188/1207548
title: Materials Data on Pr6Fe13Ag by Materials Project

description: Pr6Fe13Ag crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to four Fe and two equivalent Ag atoms. There are a spread of Pr–Fe bond distances ranging from 2.97–3.33 Å. Both Pr–Ag bond lengths are 3.39 Å. In the second Pr site, Pr is bonded in a 5-coordinate geometry to twelve Fe and one Ag atom. There are a spread of Pr–Fe bond distances ranging from 3.04–3.26 Å. The Pr–Ag bond length is 3.40 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to twelve Fe atoms to form a mixture of corner and face-sharing FeFe12 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.40–2.55 Å. In the second Fe site, Fe is bonded to two equivalent Pr and ten Fe atoms to form a mixture of corner and face-sharing FePr2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.64 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to three Pr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.51–2.73 Å. In the fourth Fe site, Fe is bonded to five Pr and seven Fe atoms to form a mixture of distorted corner and face-sharing FePr5Fe7 cuboctahedra. The Fe–Fe bond length is 2.60 Å. Ag is bonded in a distorted q6 geometry to ten Pr atoms.
DOI: 10.17188/1207549
title: Materials Data on Co2NiO4 by Materials Project

description: NiCo2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with six equivalent CoO6 octahedra and corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There is two shorter (1.86 Å) and two longer (1.94 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent CoO6 octahedra, and edges with four equivalent NiO6 octahedra. There is two shorter (1.92 Å) and four longer (1.95 Å) Co–O bond length. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent CoO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent CoO6 octahedra. There are four shorter (2.02 Å) and two longer (2.04 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Co3+ and two equivalent Ni2+ atoms to form a mixture of distorted edge and corner-sharing OCo2Ni2 trigonal pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co3+ and one Ni2+ atom.
DOI: 10.17188/1207550
title: Materials Data on Li2MgCl4 by Materials Project

description: Li2MgCl4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Cl1- atoms to form LiCl4 tetrahedra that share corners with six equivalent LiCl6 octahedra and corners with six equivalent MgCl6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. There are two shorter (2.38 Å) and two longer (2.45 Å) Li–Cl bond lengths. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent LiCl6 octahedra, and edges with four equivalent MgCl6 octahedra. There are four shorter (2.57 Å) and two longer (2.59 Å) Li–Cl bond lengths. Mg2+ is bonded to six Cl1- atoms to form MgCl6 octahedra that share corners with six equivalent LiCl4 tetrahedra, edges with two equivalent MgCl6 octahedra, and edges with four equivalent LiCl6 octahedra. There are two shorter (2.49 Å) and four longer (2.55 Å) Mg–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two equivalent Mg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Mg2+ atom.
DOI: 10.17188/1207551
title: Materials Data on CeSbO3 by Materials Project

description: CeSbO3 is Hazelwoodite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ce–O bond lengths are 2.27 Å. Sb3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.50 Å. O2- is bonded to two equivalent Ce3+ and two equivalent Sb3+ atoms to form a mixture of distorted edge and corner-sharing OCe2Sb2 tetrahedra.
DOI: 10.17188/1207552
title: Materials Data on TbBRh3 by Materials Project

description: TbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Rh atoms to form TbRh12 cuboctahedra that share corners with twelve equivalent TbRh12 cuboctahedra, faces with six equivalent TbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tb–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Tb and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing RhTb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.11 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent TbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1207553
title: Materials Data on LiTbSe2 by Materials Project

description: LiTbSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent TbSe6 octahedra, corners with four equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent TbSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.86 Å) and two longer (2.92 Å) Li–Se bond lengths. Tb3+ is bonded to six Se2- atoms to form TbSe6 octahedra that share corners with two equivalent LiSe6 octahedra, corners with four equivalent TbSe6 octahedra, edges with four equivalent TbSe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.86 Å) and two longer (2.87 Å) Tb–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Tb3+ atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Tb3+ atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Tb3+ atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Tb3+ atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.86 Å) and one longer (2.92 Å) Se–Li bond lengths. There are two shorter (2.86 Å) and one longer (2.87 Å) Se–Tb bond lengths.
DOI: 10.17188/1207554
title: Materials Data on CeSb by Materials Project

description: CeSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner and edge-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Sb bond lengths are 3.19 Å. Sb3- is bonded to six equivalent Ce3+ atoms to form a mixture of corner and edge-sharing SbCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1207555
title: Materials Data on Sr2Nb2O7 by Materials Project

description: Sr2Nb2O7 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.96 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight NbO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.54–3.14 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with four NbO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 16–37°. There are a spread of Nb–O bond distances ranging from 1.85–2.37 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with six NbO6 octahedra and faces with six equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 7–37°. There are a spread of Nb–O bond distances ranging from 1.85–2.36 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two Nb5+ atoms to form distorted corner-sharing OSr2Nb2 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Sr2+ and one Nb5+ atom to form distorted corner-sharing OSr3Nb tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two equivalent Nb5+ atoms.