cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1208277
title: Materials Data on Sr2RuO4 by Materials Project

description: Sr2RuO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.77 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.95 Å) and two longer (2.10 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Ru4+ atom to form OSr5Ru octahedra that share corners with seventeen OSr4Ru2 octahedra, edges with eight equivalent OSr5Ru octahedra, and faces with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°.
DOI: 10.17188/1208278
title: Materials Data on Y2B5Pd14 by Materials Project

description: Y2Pd14B5 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to fourteen Pd and four equivalent B atoms. There are a spread of Y–Pd bond distances ranging from 2.78–3.43 Å. All Y–B bond lengths are 3.14 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to two equivalent Y and two equivalent B atoms. Both Pd–B bond lengths are 2.40 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Y and two equivalent B atoms. Both Pd–B bond lengths are 2.19 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Y and two equivalent B atoms. Both Pd–B bond lengths are 2.21 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Y and three B atoms. There are one shorter (2.20 Å) and two longer (2.37 Å) Pd–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a square co-planar geometry to four equivalent Pd atoms. In the second B site, B is bonded in a 7-coordinate geometry to two equivalent Y and seven Pd atoms.
DOI: 10.17188/1208279
title: Materials Data on Sr4PtO6 by Materials Project

description: Sr4PtO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.80 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.48 Å. Pt4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pt–O bond lengths are 2.09 Å. O2- is bonded to five Sr2+ and one Pt4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–64°.
DOI: 10.17188/1208280
title: Materials Data on Ce(TeO3)2 by Materials Project

description: CeTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.93 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.91 Å) and two longer (1.92 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ce4+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce4+ and one Te4+ atom.
DOI: 10.17188/1208281
title: Materials Data on Ti by Materials Project

description: Ti is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ti atoms to form a mixture of corner, edge, and face-sharing TiTi12 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.93 Å) Ti–Ti bond lengths.
DOI: 10.17188/1208282
title: Materials Data on PrZn by Materials Project

description: PrZn 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 Zn atoms. All Pr–Zn bond lengths are 3.22 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1208283
title: Materials Data on Tb2Ti2O7 by Materials Project

description: Tb2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded to eight O2- atoms to form distorted TbO8 hexagonal bipyramids that share edges with six equivalent TbO8 hexagonal bipyramids and edges with six equivalent TiO6 octahedra. There are two shorter (2.21 Å) and six longer (2.50 Å) Tb–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and edges with six equivalent TbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ti–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form corner-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1208284
title: Materials Data on Nd3Co13B2 by Materials Project

description: Nd3Co13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.25 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.92 Å. All Nd–B bond lengths are 2.93 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to four Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded to four equivalent Nd and eight Co atoms to form a mixture of edge, face, and corner-sharing CoNd4Co8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.
DOI: 10.17188/1208285
title: Materials Data on Li7VN4 by Materials Project

description: Li7VN4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with two equivalent VN4 tetrahedra, corners with fourteen LiN4 tetrahedra, an edgeedge with one VN4 tetrahedra, and edges with five LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.11–2.15 Å. In the second Li1+ site, Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with four equivalent VN4 tetrahedra, corners with twelve LiN4 tetrahedra, and edges with six LiN4 tetrahedra. There are one shorter (2.12 Å) and three longer (2.15 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded to four N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent VN4 tetrahedra, corners with fourteen LiN4 tetrahedra, an edgeedge with one VN4 tetrahedra, and edges with five LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.04–2.20 Å. V5+ is bonded to four N3- atoms to form VN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with six LiN4 tetrahedra. There is one shorter (1.83 Å) and three longer (1.85 Å) V–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted body-centered cubic geometry to seven Li1+ and one V5+ atom. In the second N3- site, N3- is bonded in a body-centered cubic geometry to seven Li1+ and one V5+ atom.
DOI: 10.17188/1208286
title: Materials Data on U(Al2Fe)4 by Materials Project

description: UFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All U–Fe bond lengths are 3.31 Å. There are four shorter (2.97 Å) and eight longer (3.14 Å) U–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.52 Å) and four longer (2.63 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. The Al–Al bond length is 2.73 Å.
DOI: 10.17188/1208287
title: Materials Data on KPF6 by Materials Project

description: KPF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent PF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent PF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (2.94 Å) and six longer (2.98 Å) K–F bond lengths. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All P–F bond lengths are 1.64 Å. F1- is bonded in a single-bond geometry to two equivalent K1+ and one P5+ atom.
DOI: 10.17188/1208288
title: Materials Data on HfSiO4 by Materials Project

description: HfSiO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.13 Å) and four longer (2.27 Å) Hf–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Hf4+ and one Si4+ atom.
DOI: 10.17188/1208289
title: Materials Data on Th(SiPt)2 by Materials Project

description: Th(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight equivalent Pt2- atoms. All Th–Pt bond lengths are 3.28 Å. Pt2- is bonded to four equivalent Th4+ and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtTh4Si4 tetrahedra. All Pt–Si bond lengths are 2.50 Å. Si is bonded in a 5-coordinate geometry to four equivalent Pt2- and one Si atom. The Si–Si bond length is 2.38 Å.
DOI: 10.17188/1208290
title: Materials Data on TiCo2Ge by Materials Project

description: Co2TiGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ge atoms. All Ti–Co bond lengths are 2.53 Å. All Ti–Ge bond lengths are 2.92 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Co–Ge bond lengths are 2.53 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Co atoms.
DOI: 10.17188/1208291
title: Materials Data on Zr2SnC by Materials Project

description: Zr2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Zr–Sn bond lengths are 3.12 Å. All Zr–C bond lengths are 2.32 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Zr atoms. C is bonded to six equivalent Zr atoms to form edge-sharing CZr6 octahedra.
DOI: 10.17188/1208292
title: Materials Data on Tb(SiAg)2 by Materials Project

description: TbAg2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb4+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.16 Å. Ag2+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.60 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb4+, four equivalent Ag2+, and one Si4- atom. The Si–Si bond length is 2.30 Å.
DOI: 10.17188/1208293
title: Materials Data on Rb2SeO4 by Materials Project

description: Rb2SeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.48 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.52 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Se6+ atom.
DOI: 10.17188/1208294
title: Materials Data on Li2BeF4 by Materials Project

description: Li2BeF4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra and corners with four equivalent BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.89–1.91 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra and corners with four equivalent BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.89–1.93 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share corners with eight LiF4 tetrahedra. There is three shorter (1.57 Å) and one longer (1.58 Å) Be–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Be2+ atom.
DOI: 10.17188/1208295
title: Materials Data on TaBO4 by Materials Project

description: TaBO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ta5+ is bonded to eight equivalent O2- atoms to form distorted TaO8 hexagonal bipyramids that share corners with four equivalent BO4 tetrahedra, edges with four equivalent TaO8 hexagonal bipyramids, and edges with two equivalent BO4 tetrahedra. There are four shorter (2.06 Å) and four longer (2.11 Å) Ta–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent TaO8 hexagonal bipyramids and edges with two equivalent TaO8 hexagonal bipyramids. All B–O bond lengths are 1.48 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ta5+ and one B3+ atom.
DOI: 10.17188/1208296
title: Materials Data on CaCO3 by Materials Project

description: CaCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.69 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one C4+ atom.
DOI: 10.17188/1208297
title: Materials Data on CoAsS by Materials Project

description: CoAsS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent As1- and three equivalent S2- atoms to form CoAs3S3 octahedra that share corners with twelve equivalent CoAs3S3 octahedra, corners with three equivalent AsCo3S tetrahedra, and corners with three equivalent SCo3As tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°. There are one shorter (2.36 Å) and two longer (2.37 Å) Co–As bond lengths. There are two shorter (2.28 Å) and one longer (2.29 Å) Co–S bond lengths. As1- is bonded to three equivalent Co3+ and one S2- atom to form AsCo3S tetrahedra that share corners with three equivalent CoAs3S3 octahedra, corners with six equivalent AsCo3S tetrahedra, and corners with nine equivalent SCo3As tetrahedra. The corner-sharing octahedra tilt angles range from 77–80°. The As–S bond length is 2.32 Å. S2- is bonded to three equivalent Co3+ and one As1- atom to form SCo3As tetrahedra that share corners with three equivalent CoAs3S3 octahedra, corners with six equivalent SCo3As tetrahedra, and corners with nine equivalent AsCo3S tetrahedra. The corner-sharing octahedra tilt angles range from 77–81°.
DOI: 10.17188/1208298
title: Materials Data on ZrSiSe by Materials Project

description: ZrSiSe crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Si and five equivalent Se atoms. All Zr–Si bond lengths are 2.82 Å. There are four shorter (2.77 Å) and one longer (3.28 Å) Zr–Se bond lengths. Si is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. Se is bonded in a 5-coordinate geometry to five equivalent Zr atoms.
DOI: 10.17188/1208299
title: Materials Data on KF by Materials Project

description: KF is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent F1- atoms to form a mixture of corner and edge-sharing KF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.71 Å. F1- is bonded to six equivalent K1+ atoms to form a mixture of corner and edge-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1208300
title: Materials Data on Li2RuO3 by Materials Project

description: Li2RuO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RuO6 octahedra, edges with four equivalent RuO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Li–O bond distances ranging from 2.12–2.17 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent RuO6 octahedra, edges with four equivalent RuO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are two shorter (2.09 Å) and four longer (2.16 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (2.10 Å) and two longer (2.11 Å) Li–O bond lengths. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent RuO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. All Ru–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Ru4+ atoms to form a mixture of edge and corner-sharing OLi4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Ru4+ atoms to form a mixture of edge and corner-sharing OLi4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1208301
title: Materials Data on Sr3(PO4)2 by Materials Project

description: Sr3(PO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 cuboctahedra that share corners with six equivalent PO4 tetrahedra. All Sr–O bond lengths are 2.61 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.78 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SrO6 cuboctahedra. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one P5+ atom.