cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205581
title: Materials Data on Zr3(Mn2Si3)2 by Materials Project

description: Zr3Mn4Si6 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are three inequivalent Zr+2.67+ sites. In the first Zr+2.67+ site, Zr+2.67+ is bonded to seven Si+2.67- atoms to form a mixture of face, edge, and corner-sharing ZrSi7 pentagonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.72–2.86 Å. In the second Zr+2.67+ site, Zr+2.67+ is bonded to seven Si+2.67- atoms to form a mixture of face, edge, and corner-sharing ZrSi7 pentagonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.75–2.87 Å. In the third Zr+2.67+ site, Zr+2.67+ is bonded to seven Si+2.67- atoms to form a mixture of face, edge, and corner-sharing ZrSi7 pentagonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.62–2.85 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven Si+2.67- atoms. There are a spread of Mn–Si bond distances ranging from 2.40–2.93 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.67- atoms. There are a spread of Mn–Si bond distances ranging from 2.41–2.51 Å. In the third Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six Si+2.67- atoms. There are a spread of Mn–Si bond distances ranging from 2.42–2.47 Å. There are six inequivalent Si+2.67- sites. In the first Si+2.67- site, Si+2.67- is bonded in a 6-coordinate geometry to one Zr+2.67+, four equivalent Mn2+, and one Si+2.67- atom. The Si–Si bond length is 2.37 Å. In the second Si+2.67- site, Si+2.67- is bonded in a 10-coordinate geometry to six Zr+2.67+, two equivalent Mn2+, and two equivalent Si+2.67- atoms. Both Si–Si bond lengths are 2.55 Å. In the third Si+2.67- site, Si+2.67- is bonded in a 9-coordinate geometry to five Zr+2.67+ and four Mn2+ atoms. In the fourth Si+2.67- site, Si+2.67- is bonded in a 9-coordinate geometry to four Zr+2.67+ and five Mn2+ atoms. In the fifth Si+2.67- site, Si+2.67- is bonded in a 5-coordinate geometry to one Zr+2.67+ and six Mn2+ atoms. In the sixth Si+2.67- site, Si+2.67- is bonded in a 12-coordinate geometry to four Zr+2.67+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1205582
title: Materials Data on Ga9Ir2 by Materials Project

description: Ir2Ga9 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.49–2.71 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.49–2.66 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two Ir atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two Ir atoms. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two Ir atoms. In the sixth Ga site, Ga is bonded in a distorted bent 120 degrees geometry to two Ir atoms. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two Ir atoms. In the eighth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two Ir atoms. In the ninth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms.
DOI: 10.17188/1205583
title: Materials Data on Ga9Rh2 by Materials Project

description: Rh2Ga9 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.49–2.67 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.49–2.72 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two Rh atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two Rh atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two Rh atoms. In the fifth Ga site, Ga is bonded in a distorted bent 120 degrees geometry to two Rh atoms. In the sixth Ga site, Ga is bonded in a distorted bent 120 degrees geometry to two Rh atoms. In the seventh Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two Rh atoms. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two Rh atoms. In the ninth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh atoms.
DOI: 10.17188/1205584
title: Materials Data on K3PSe4 by Materials Project

description: K3PSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.30–3.67 Å. In the second K1+ site, K1+ is bonded to seven Se2- atoms to form distorted KSe7 pentagonal bipyramids that share corners with two equivalent KSe7 pentagonal bipyramids, corners with five equivalent PSe4 tetrahedra, edges with two equivalent KSe7 pentagonal bipyramids, and an edgeedge with one PSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.36–3.85 Å. P5+ is bonded to four Se2- atoms to form PSe4 tetrahedra that share corners with five equivalent KSe7 pentagonal bipyramids and an edgeedge with one KSe7 pentagonal bipyramid. There are three shorter (2.23 Å) and one longer (2.25 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five K1+ and one P5+ atom to form edge-sharing SeK5P octahedra. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to six K1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.
DOI: 10.17188/1205585
title: Materials Data on K2PSe3 by Materials Project

description: K2PSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.47 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.40–3.92 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.36–3.98 Å. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.36–3.80 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.22 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. All P–Se bond lengths are 2.21 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four K1+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four K1+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to five K1+ and one P4+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to five K1+ and one P4+ atom. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to five K1+ and one P4+ atom. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+ and one P4+ atom.
DOI: 10.17188/1205586
title: Materials Data on La3PbI3 by Materials Project

description: La3PbI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Pb and four equivalent I atoms to form a mixture of edge and corner-sharing LaPb2I4 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. Both La–Pb bond lengths are 3.18 Å. There are two shorter (3.34 Å) and two longer (3.36 Å) La–I bond lengths. Pb is bonded to six equivalent La atoms to form edge-sharing PbLa6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.
DOI: 10.17188/1205587
title: Materials Data on Nd2TeO6 by Materials Project

description: Nd2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.70 Å. In the second Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent TeO6 octahedra, edges with two equivalent NdO7 hexagonal pyramids, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–44°. There are a spread of Nd–O bond distances ranging from 2.38–2.58 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with three equivalent NdO7 hexagonal pyramids and edges with two equivalent NdO7 hexagonal pyramids. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Nd3+ and one Te6+ atom to form distorted corner-sharing ONd3Te tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Te6+ atom.
DOI: 10.17188/1205588
title: Materials Data on Nd(C2N3)3 by Materials Project

description: Nd(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Nd–N bond distances ranging from 2.51–3.00 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Nd3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one Nd3+ and two equivalent C4+ atoms.
DOI: 10.17188/1205589
title: Materials Data on La(C2N3)3 by Materials Project

description: La(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.57–3.03 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one La3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one La3+ and two equivalent C4+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one La3+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to one La3+ and two equivalent C4+ atoms.
DOI: 10.17188/1205590
title: Materials Data on La6OsI10 by Materials Project

description: La6OsI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of distorted edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The La–Os bond length is 2.70 Å. There are a spread of La–I bond distances ranging from 3.23–3.57 Å. In the second La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 3.00 Å. There are a spread of La–I bond distances ranging from 3.13–3.45 Å. In the third La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. The La–Os bond length is 2.96 Å. There are a spread of La–I bond distances ranging from 3.23–3.49 Å. Os2- is bonded in an octahedral geometry to six La2+ atoms. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three La2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three La2+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three La2+ atoms. In the fourth I1- site, I1- is bonded in a distorted L-shaped geometry to two La2+ atoms. In the fifth I1- site, I1- is bonded in a distorted see-saw-like geometry to four La2+ atoms.
DOI: 10.17188/1205591
title: Materials Data on Li2In by Materials Project

description: Li2In crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Li2In sheets oriented in the (0, 1, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent In atoms to form a mixture of distorted corner and edge-sharing LiIn4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.90 Å) Li–In bond lengths. In the second Li site, Li is bonded in a distorted water-like geometry to two equivalent In atoms. Both Li–In bond lengths are 2.96 Å. In is bonded in a 6-coordinate geometry to six Li atoms.
DOI: 10.17188/1205592
title: Materials Data on Mg2In by Materials Project

description: Mg2In is zeta silver zinc structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four In atoms to form a mixture of distorted edge and corner-sharing MgIn4 tetrahedra. There are two shorter (2.99 Å) and two longer (3.00 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five In atoms. There are one shorter (3.12 Å) and four longer (3.16 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to nine Mg atoms. In the second In site, In is bonded in a 9-coordinate geometry to nine Mg atoms.
DOI: 10.17188/1205593
title: Materials Data on MnInPd2 by Materials Project

description: Pd2MnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mn–Pd bond lengths are 2.78 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1205595
title: Materials Data on InPd3 by Materials Project

description: Pd3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve equivalent PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen equivalent PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen equivalent PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.86 Å. All Pd–In bond lengths are 2.86 Å. In is bonded to twelve equivalent Pd atoms to form InPd12 cuboctahedra that share corners with twelve equivalent InPd12 cuboctahedra, edges with twenty-four equivalent PdIn4Pd8 cuboctahedra, faces with six equivalent InPd12 cuboctahedra, and faces with twelve equivalent PdIn4Pd8 cuboctahedra.
DOI: 10.17188/1205596
title: Materials Data on ScInPd2 by Materials Project

description: ScPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.85 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Pd–In bond lengths are 2.85 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1205597
title: Materials Data on YInRh by Materials Project

description: YRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.07 Å) Y–Rh bond lengths. There are two shorter (3.22 Å) and four longer (3.34 Å) Y–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Rh–In bond lengths are 2.85 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent In atoms. All Rh–In bond lengths are 2.77 Å. In is bonded in a 4-coordinate geometry to six equivalent Y and four Rh atoms.
DOI: 10.17188/1205598
title: Materials Data on Sc2In by Materials Project

description: Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.
DOI: 10.17188/1205599
title: Materials Data on Sr3In by Materials Project

description: Sr3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Sr and four equivalent In atoms to form a mixture of distorted edge, face, and corner-sharing SrSr4In4 tetrahedra. All Sr–Sr bond lengths are 3.75 Å. All Sr–In bond lengths are 3.75 Å. In the second Sr site, Sr is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1205600
title: Materials Data on Er2(SeO3)3 by Materials Project

description: Er2(SeO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.62 Å. In the second Er3+ site, Er3+ is bonded in a pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.44 Å. There are three inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.74 Å) Se–O bond length. In the third Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.75 Å) Se–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Er3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Se4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Se4+ atom.
DOI: 10.17188/1205601
title: Materials Data on La3OsO7 by Materials Project

description: La3OsO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.79 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent OsO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent OsO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of La–O bond distances ranging from 2.34–2.64 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are four shorter (1.99 Å) and two longer (2.02 Å) Os–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os5+ atoms.