cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1733957
title: Materials Data on SmPd3S4 by Materials Project

description: SmPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Sm–S bond lengths are 2.92 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to two equivalent Sm2+ and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing SSm2Pd3 trigonal bipyramids.
DOI: 10.17188/1733958
title: Materials Data on LiTbIn2 by Materials Project

description: LiTbIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Li–In bond lengths are 3.16 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Tb–In bond lengths are 3.16 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tb atoms.
DOI: 10.17188/1733959
title: Materials Data on BaTmCo4O7 by Materials Project

description: BaTmCo4O7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.04 Å. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with twelve CoO4 tetrahedra. There are a spread of Tm–O bond distances ranging from 2.20–2.33 Å. There are four inequivalent Co+2.25+ sites. In the first Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent TmO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are a spread of Co–O bond distances ranging from 1.96–2.00 Å. In the second Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent TmO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Co–O bond distances ranging from 1.95–2.00 Å. In the third Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent TmO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–60°. There are a spread of Co–O bond distances ranging from 1.94–2.00 Å. In the fourth Co+2.25+ site, Co+2.25+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with three equivalent TmO6 octahedra and corners with six CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–O bond distances ranging from 1.87–1.95 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms. In the sixth O2- site, O2- is bonded in a tetrahedral geometry to four Co+2.25+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, one Tm3+, and two Co+2.25+ atoms.
DOI: 10.17188/1733960
title: Materials Data on DyCu4Ag by Materials Project

description: DyCu4Ag crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Dy–Ag bond lengths are 3.10 Å. All Dy–Cu bond lengths are 2.97 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Dy and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.96 Å. Cu is bonded to three equivalent Dy, three equivalent Ag, and six equivalent Cu atoms to form a mixture of face, edge, and corner-sharing CuDy3Cu6Ag3 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.55 Å) Cu–Cu bond lengths.
DOI: 10.17188/1733961
title: Materials Data on Li9Si2Ni5O16 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733962
title: Materials Data on Mn6O7F5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733963
title: Materials Data on Zn(CoO2)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733964
title: Materials Data on Yb3SbO7 by Materials Project

description: Yb3SbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one YbO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent YbO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Yb–O bond distances ranging from 2.27–2.45 Å. In the second Yb3+ site, Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.58 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent YbO7 pentagonal bipyramids, and edges with four equivalent YbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Sb–O bond distances ranging from 1.97–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Yb3+ atoms to form OYb4 tetrahedra that share corners with six OYb4 tetrahedra, an edgeedge with one OYb4 tetrahedra, and an edgeedge with one OYb2Sb2 trigonal pyramid. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sb5+ atoms to form distorted OYb2Sb2 trigonal pyramids that share corners with two equivalent OYb4 tetrahedra, corners with two equivalent OYb2Sb2 trigonal pyramids, and an edgeedge with one OYb4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Yb3+ atoms to form distorted OYb4 tetrahedra that share corners with six OYb4 tetrahedra, corners with two equivalent OYb2Sb2 trigonal pyramids, and an edgeedge with one OYb4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one Sb5+ atom.
DOI: 10.17188/1733965
title: Materials Data on Sc2TiTl by Materials Project

description: Sc2TiTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2TiTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ti and one Tl atom. The Sc–Ti bond length is 2.36 Å. The Sc–Tl bond length is 2.98 Å. Ti is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1733966
title: Materials Data on RbVH6SO9 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733967
title: Materials Data on Ca3LaSi8 by Materials Project

description: Ca3LaSi8 is hexagonal omega structure-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to twelve Si1- atoms to form a mixture of face and edge-sharing CaSi12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.26 Å) Ca–Si bond lengths. In the second Ca2+ site, Ca2+ is bonded to twelve Si1- atoms to form CaSi12 cuboctahedra that share edges with four equivalent LaSi12 cuboctahedra, edges with eight CaSi12 cuboctahedra, faces with two equivalent LaSi12 cuboctahedra, and faces with six CaSi12 cuboctahedra. There are a spread of Ca–Si bond distances ranging from 3.09–3.27 Å. In the third Ca2+ site, Ca2+ is bonded to twelve Si1- atoms to form CaSi12 cuboctahedra that share edges with four equivalent LaSi12 cuboctahedra, edges with eight CaSi12 cuboctahedra, faces with two equivalent LaSi12 cuboctahedra, and faces with six CaSi12 cuboctahedra. There are a spread of Ca–Si bond distances ranging from 3.09–3.27 Å. La2+ is bonded to twelve Si1- atoms to form LaSi12 cuboctahedra that share edges with four equivalent LaSi12 cuboctahedra, edges with eight CaSi12 cuboctahedra, faces with four CaSi12 cuboctahedra, and faces with four equivalent LaSi12 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.26 Å) La–Si bond lengths. There are six inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to two equivalent Ca2+, four equivalent La2+, and three Si1- atoms. There are one shorter (2.30 Å) and two longer (2.41 Å) Si–Si bond lengths. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to six Ca2+ and three Si1- atoms. There are one shorter (2.29 Å) and two longer (2.41 Å) Si–Si bond lengths. In the third Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Ca2+, two equivalent La2+, and three Si1- atoms. The Si–Si bond length is 2.30 Å. In the fourth Si1- site, Si1- is bonded in a 9-coordinate geometry to six Ca2+ and three Si1- atoms. The Si–Si bond length is 2.30 Å. In the fifth Si1- site, Si1- is bonded in a 9-coordinate geometry to two equivalent Ca2+, four equivalent La2+, and three Si1- atoms. Both Si–Si bond lengths are 2.41 Å. In the sixth Si1- site, Si1- is bonded in a 9-coordinate geometry to four equivalent Ca2+, two equivalent La2+, and three Si1- atoms.
DOI: 10.17188/1733968
title: Materials Data on Na3Li3Fe2P2(CO7)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733969
title: Materials Data on Y7Rh3 by Materials Project

description: Y7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Y–Rh bond lengths are 2.81 Å. In the second Y site, Y is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Y–Rh bond lengths are 2.84 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to three equivalent Rh atoms. There are one shorter (2.87 Å) and two longer (2.88 Å) Y–Rh bond lengths. Rh is bonded in a 6-coordinate geometry to six Y atoms.
DOI: 10.17188/1733970
title: Materials Data on SnH3NF3 by Materials Project

description: SnNH3F3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight SnNH3F3 clusters. Sn3+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Sn–F bond distances ranging from 2.10–2.14 Å. N3- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There is two shorter (1.05 Å) and one longer (1.08 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.53 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Sn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sn3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one H1+ atom.
DOI: 10.17188/1733971
title: Materials Data on CsGaO2 by Materials Project

description: CsGaO2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. All Cs–O bond lengths are 3.53 Å. Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. All Ga–O bond lengths are 1.84 Å. O2- is bonded in a linear geometry to six equivalent Cs1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1733972
title: Materials Data on Eu3SbO7 by Materials Project

description: Eu3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.69 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Eu–O bond distances ranging from 2.28–2.59 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four shorter (2.00 Å) and two longer (2.04 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra.
DOI: 10.17188/1733973
title: Materials Data on TePb2Se by Materials Project

description: Pb2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of corner and edge-sharing PbTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.13 Å. Te2- is bonded to six equivalent Pb2+ atoms to form TePb6 octahedra that share corners with six equivalent SePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Pb2+ atoms to form SePb6 octahedra that share corners with six equivalent TePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°.
DOI: 10.17188/1733974
title: Materials Data on GaRe by Materials Project

description: ReGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re is bonded to six equivalent Re and six equivalent Ga atoms to form distorted ReGa6Re6 cuboctahedra that share corners with eighteen equivalent ReGa6Re6 cuboctahedra, edges with six equivalent ReGa6Re6 cuboctahedra, edges with twelve equivalent GaGa6Re6 cuboctahedra, faces with eight equivalent ReGa6Re6 cuboctahedra, and faces with twelve equivalent GaGa6Re6 cuboctahedra. All Re–Re bond lengths are 2.89 Å. All Re–Ga bond lengths are 2.65 Å. Ga is bonded to six equivalent Re and six equivalent Ga atoms to form distorted GaGa6Re6 cuboctahedra that share corners with eighteen equivalent GaGa6Re6 cuboctahedra, edges with six equivalent GaGa6Re6 cuboctahedra, edges with twelve equivalent ReGa6Re6 cuboctahedra, faces with eight equivalent GaGa6Re6 cuboctahedra, and faces with twelve equivalent ReGa6Re6 cuboctahedra. All Ga–Ga bond lengths are 2.89 Å.
DOI: 10.17188/1733975
title: Materials Data on LiCr4GaS8 by Materials Project

description: LiCr4GaS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Li–S bond lengths are 2.39 Å. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with three equivalent LiS4 tetrahedra, corners with three equivalent GaS4 tetrahedra, and edges with six equivalent CrS6 octahedra. There are three shorter (2.36 Å) and three longer (2.47 Å) Cr–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Ga–S bond lengths are 2.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Li1+ and three equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing SLiCr3 trigonal pyramids. In the second S2- site, S2- is bonded to three equivalent Cr3+ and one Ga3+ atom to form distorted SCr3Ga trigonal pyramids that share corners with twelve SLiCr3 trigonal pyramids and edges with three equivalent SCr3Ga trigonal pyramids.
DOI: 10.17188/1733976
title: Materials Data on V3P4O15 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733977
title: Materials Data on Fe3Te2Se by Materials Project

description: FeTeFe2TeSe crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of two Fe2TeSe sheets oriented in the (0, 0, 1) direction and one FeTe sheet oriented in the (0, 0, 1) direction. In each Fe2TeSe sheet, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.57 Å. Both Fe–Se bond lengths are 2.41 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the FeTe sheet, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms.
DOI: 10.17188/1733979
title: Materials Data on V3CrSb2(PO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1733980
title: Materials Data on Li2CuAuF6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.25318/1410037801-fra
title: Caractéristiques de la population active, moyennes mobiles de trois mois, données non désaisonnalisées

description: Nombre de personnes faisant partie de la population active (emploi et chômage) et de la population inactive, taux de chômage, taux d'activité et taux d'emploi, selon la région métropolitaine de recensement, le sexe et le groupe d'âge, 5 derniers mois.
DOI: 10.17188/1733981
title: Materials Data on NaCuO2 by Materials Project

description: NaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Cu3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.87 Å. O2- is bonded to four equivalent Na1+ and two equivalent Cu3+ atoms to form a mixture of corner, edge, and face-sharing ONa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°.
DOI: 10.17188/1733982
title: Materials Data on Sm3YS4 by Materials Project

description: Sm3YS4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six S atoms to form SmS6 octahedra that share corners with three equivalent SmS6 octahedra, corners with three equivalent YS6 octahedra, edges with three equivalent YS6 octahedra, and edges with nine SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sm–S bond distances ranging from 2.82–2.86 Å. In the second Sm site, Sm is bonded to six S atoms to form SmS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with four equivalent YS6 octahedra, and edges with eight SmS6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are four shorter (2.82 Å) and two longer (2.83 Å) Sm–S bond lengths. Y is bonded to six S atoms to form YS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with two equivalent YS6 octahedra, and edges with ten SmS6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.77 Å) and four longer (2.78 Å) Y–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to four Sm and two equivalent Y atoms to form a mixture of edge and corner-sharing SSm4Y2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second S site, S is bonded to five Sm and one Y atom to form a mixture of edge and corner-sharing SSm5Y octahedra. The corner-sharing octahedra tilt angles range from 0–3°.