cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1284088
title: Materials Data on Sc2Te3 by Materials Project

description: Sc2Te3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are four shorter (2.92 Å) and two longer (2.94 Å) Sc–Te bond lengths. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Sc–Te bond distances ranging from 2.92–2.95 Å. In the third Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of face, edge, and corner-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–49°. There are a spread of Sc–Te bond distances ranging from 2.89–2.94 Å. In the fourth Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of face, edge, and corner-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Sc–Te bond distances ranging from 2.91–2.97 Å. In the fifth Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Sc–Te bond distances ranging from 2.92–2.94 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the third Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the fourth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the fifth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms. In the sixth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Sc3+ atoms.
DOI: 10.17188/1284090
title: Materials Data on Fe2Te3 by Materials Project

description: Fe2Te3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing FeTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.43 Å) and three longer (2.55 Å) Fe–Te bond lengths. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe3+ atoms.
DOI: 10.17188/1284096
title: Materials Data on HfO2 by Materials Project

description: HfO2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Hf4+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing HfO7 pentagonal bipyramids. There are a spread of Hf–O bond distances ranging from 2.04–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Hf4+ atoms. In the second O2- site, O2- is bonded to four equivalent Hf4+ atoms to form a mixture of edge and corner-sharing OHf4 tetrahedra.
DOI: 10.17188/1284099
title: Materials Data on SiO4 by Materials Project

description: SiO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SiO4 ribbon oriented in the (1, 0, 0) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.55–2.16 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.39–1.99 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Si–O bond distances ranging from 1.50–2.15 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Si and two O atoms. There is one shorter (1.21 Å) and one longer (1.66 Å) O–O bond length. In the third O site, O is bonded in a water-like geometry to two Si atoms. In the fourth O site, O is bonded in a single-bond geometry to one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.45 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.80 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. In the ninth O site, O is bonded in a distorted L-shaped geometry to one Si and one O atom. In the tenth O site, O is bonded in a 1-coordinate geometry to one Si and one O atom. In the eleventh O site, O is bonded in a water-like geometry to two Si atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Si and one O atom.
DOI: 10.17188/1284100
title: Materials Data on Cu9Se5 by Materials Project

description: Cu9Se5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Cu+1.11+ sites. In the first Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.61 Å. In the second Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.44–2.64 Å. In the third Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.49–2.70 Å. In the fourth Cu+1.11+ site, Cu+1.11+ is bonded in a trigonal planar geometry to three Se2- atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Cu–Se bond lengths. In the fifth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Cu–Se bond lengths. In the sixth Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form corner-sharing CuSe4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.49 Å) Cu–Se bond lengths. In the seventh Cu+1.11+ site, Cu+1.11+ is bonded to four Se2- atoms to form distorted corner-sharing CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.49–2.66 Å. In the eighth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.41 Å) and one longer (2.43 Å) Cu–Se bond lengths. In the ninth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.40–2.45 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted hexagonal pyramidal geometry to seven Cu+1.11+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Cu+1.11+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to seven Cu+1.11+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.11+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to six Cu+1.11+ atoms.
DOI: 10.17188/1284101
title: Materials Data on Cu9S5 by Materials Project

description: Cu9S5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Cu+1.11+ sites. In the first Cu+1.11+ site, Cu+1.11+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.30–2.77 Å. In the second Cu+1.11+ site, Cu+1.11+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Cu–S bond distances ranging from 2.38–2.91 Å. In the third Cu+1.11+ site, Cu+1.11+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.37 Å) and three longer (2.38 Å) Cu–S bond lengths. In the fourth Cu+1.11+ site, Cu+1.11+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Cu–S bond distances ranging from 2.46–3.14 Å. In the fifth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.28–2.85 Å. In the sixth Cu+1.11+ site, Cu+1.11+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Cu–S bond distances ranging from 2.38–3.15 Å. In the seventh Cu+1.11+ site, Cu+1.11+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.29–2.75 Å. In the eighth Cu+1.11+ site, Cu+1.11+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Cu–S bond distances ranging from 2.41–3.10 Å. In the ninth Cu+1.11+ site, Cu+1.11+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.30–2.34 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 9-coordinate geometry to six Cu+1.11+ atoms. In the second S2- site, S2- is bonded in a 9-coordinate geometry to nine Cu+1.11+ atoms. In the third S2- site, S2- is bonded in a 9-coordinate geometry to nine Cu+1.11+ atoms. In the fourth S2- site, S2- is bonded in a 9-coordinate geometry to nine Cu+1.11+ atoms. In the fifth S2- site, S2- is bonded in a distorted hexagonal bipyramidal geometry to eight Cu+1.11+ atoms.
DOI: 10.17188/1284108
title: Materials Data on BiF3 by Materials Project

description: BiF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.31–2.67 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Bi3+ atoms.
DOI: 10.17188/1284109
title: Materials Data on Ce2SbO2 by Materials Project

description: Ce2SbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Ce–Sb bond distances ranging from 3.35–3.49 Å. There are two shorter (2.33 Å) and two longer (2.34 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Ce–Sb bond distances ranging from 3.37–3.54 Å. There are two shorter (2.33 Å) and two longer (2.34 Å) Ce–O bond lengths. Sb2- is bonded in a body-centered cubic geometry to eight Ce3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1284110
title: Materials Data on U2AsSe by Materials Project

description: U2AsSe is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the second U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.88 Å) and one longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. In the third U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.91 Å) U–Se bond lengths. In the fourth U site, U is bonded to three As and three Se atoms to form a mixture of edge and corner-sharing UAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.88 Å) and two longer (2.89 Å) U–As bond lengths. There are two shorter (2.89 Å) and one longer (2.90 Å) U–Se bond lengths. There are two inequivalent As sites. In the first As site, As is bonded to six U atoms to form AsU6 octahedra that share corners with two equivalent SeU6 octahedra, corners with four equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight SeU6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second As site, As is bonded to six U atoms to form AsU6 octahedra that share corners with two equivalent SeU6 octahedra, corners with four equivalent AsU6 octahedra, edges with four equivalent AsU6 octahedra, and edges with eight SeU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two inequivalent Se sites. In the first Se site, Se is bonded to six U atoms to form SeU6 octahedra that share corners with two equivalent AsU6 octahedra, corners with four equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight AsU6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second Se site, Se is bonded to six U atoms to form SeU6 octahedra that share corners with two equivalent AsU6 octahedra, corners with four equivalent SeU6 octahedra, edges with four equivalent SeU6 octahedra, and edges with eight AsU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
DOI: 10.17188/1284111
title: Materials Data on BN by Materials Project

description: BN is Boron Nitride-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.
DOI: 10.17188/1284112
title: Materials Data on CdTe by Materials Project

description: CdTe is Wurtzite structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form corner-sharing CdTe4 tetrahedra. There are one shorter (2.86 Å) and three longer (2.88 Å) Cd–Te bond lengths. Te2- is bonded to four equivalent Cd2+ atoms to form corner-sharing TeCd4 tetrahedra.
DOI: 10.17188/1284113
title: Materials Data on Ho2O3 by Materials Project

description: Ho2O3 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ho–O bond lengths are 2.08 Å. O2- is bonded to four equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra.
DOI: 10.17188/1284114
title: Materials Data on K5Sb4 by Materials Project

description: K5Sb4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.57–4.01 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.55–3.84 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.46–3.70 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.55–3.87 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.56–4.00 Å. There are four inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 8-coordinate geometry to six K1+ and two Sb+1.25- atoms. There are one shorter (2.83 Å) and one longer (2.88 Å) Sb–Sb bond lengths. In the second Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the third Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. In the fourth Sb+1.25- site, Sb+1.25- is bonded in a 8-coordinate geometry to six K1+ and two Sb+1.25- atoms.
DOI: 10.17188/1284115
title: Materials Data on PbF2 by Materials Project

description: PbF2 is Fluorite structured and crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.72 Å. F1- is bonded to four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra.
DOI: 10.17188/1284116
title: Materials Data on TiO by Materials Project

description: TiO crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of six TiO sheets oriented in the (0, 0, 1) direction. In two of the TiO sheets, there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.09 Å) and one longer (2.32 Å) Ti–O bond lengths. In the second Ti2+ site, Ti2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 2.07–2.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to six Ti2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Ti2+ atoms. In four of the TiO sheets, Ti2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Ti–O bond lengths are 2.07 Å. O2- is bonded in a 4-coordinate geometry to four equivalent Ti2+ atoms.
DOI: 10.17188/1284117
title: Materials Data on ZrCl3 by Materials Project

description: ZrCl3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three ZrCl3 sheets oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form edge-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1284118
title: Materials Data on IF7 by Materials Project

description: IF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one fluorine molecule, one IF5 cluster, and one IF7 cluster. In the IF5 cluster, I is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of I–F bond distances ranging from 1.86–1.98 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF7 cluster, I is bonded in a 5-coordinate geometry to six F atoms. There are a spread of I–F bond distances ranging from 1.87–2.56 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one F atom. The F–F bond length is 1.54 Å. In the fourth F site, F is bonded in a bent 150 degrees geometry to one I and one F atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the sixth F site, F is bonded in a single-bond geometry to one I atom. In the seventh F site, F is bonded in a single-bond geometry to one I atom.
DOI: 10.5517/ccdc.csd.cc1k8320
title: CCDC 1437751: Experimental Crystal Structure Determination

description: Related Article: Kai-Rui Feng, Yun-Xuan Tan, Wenbo Ye, Yi-Fan Wang, Zhi-Tao He, Ping Tian, Guo-Qiang Lin|2020|Org.Lett.|23|607|doi:10.1021/acs.orglett.0c04191
DOI: 10.5517/ccdc.csd.cc1k8331
title: CCDC 1437752: Experimental Crystal Structure Determination

description: Related Article: Kai-Rui Feng, Yun-Xuan Tan, Wenbo Ye, Yi-Fan Wang, Zhi-Tao He, Ping Tian, Guo-Qiang Lin|2020|Org.Lett.|23|607|doi:10.1021/acs.orglett.0c04191
DOI: 10.5517/ccdc.csd.cc1k8342
title: CCDC 1437753: Experimental Crystal Structure Determination

description: Related Article: Kai-Rui Feng, Yun-Xuan Tan, Wenbo Ye, Yi-Fan Wang, Zhi-Tao He, Ping Tian, Guo-Qiang Lin|2020|Org.Lett.|23|607|doi:10.1021/acs.orglett.0c04191
DOI: 10.17188/1284126
title: Materials Data on SrLaTl(AsO4)2 by Materials Project

description: TlSrLa(AsO4)2 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. Sr2+ is bonded to eight O2- atoms to form distorted SrO8 hexagonal bipyramids that share corners with four AsO4 tetrahedra, edges with four equivalent LaO8 hexagonal bipyramids, and edges with two AsO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.52–2.84 Å. La3+ is bonded to eight O2- atoms to form distorted LaO8 hexagonal bipyramids that share corners with four AsO4 tetrahedra, edges with four equivalent SrO8 hexagonal bipyramids, and edges with two AsO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.45–2.73 Å. Tl1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.94–3.55 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent SrO8 hexagonal bipyramids, corners with two equivalent LaO8 hexagonal bipyramids, an edgeedge with one SrO8 hexagonal bipyramid, and an edgeedge with one LaO8 hexagonal bipyramid. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent SrO8 hexagonal bipyramids, corners with two equivalent LaO8 hexagonal bipyramids, an edgeedge with one SrO8 hexagonal bipyramid, and an edgeedge with one LaO8 hexagonal bipyramid. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one La3+, one Tl1+, and one As5+ atom.