cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1289274
title: Materials Data on LiGdO2 by Materials Project

description: LiGdO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.04 Å. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 18–39°. There are a spread of Gd–O bond distances ranging from 2.25–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Gd3+ atoms to form distorted OLiGd3 tetrahedra that share corners with seven equivalent OLi2Gd3 square pyramids, corners with four equivalent OLiGd3 tetrahedra, edges with two equivalent OLi2Gd3 square pyramids, and an edgeedge with one OLiGd3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+ and three equivalent Gd3+ atoms to form distorted OLi2Gd3 square pyramids that share corners with two equivalent OLi2Gd3 square pyramids, corners with seven equivalent OLiGd3 tetrahedra, edges with three equivalent OLi2Gd3 square pyramids, and edges with two equivalent OLiGd3 tetrahedra.
DOI: 10.17188/1289275
title: Materials Data on BeClO by Materials Project

description: (BeO)2Cl2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six BeO sheets oriented in the (0, 0, 1) direction and six Cl2 sheets oriented in the (0, 0, 1) direction. In each BeO sheet, Be is bonded in a trigonal planar geometry to three equivalent O atoms. All Be–O bond lengths are 1.56 Å. O is bonded in a trigonal planar geometry to three equivalent Be atoms. In each Cl2 sheet, Cl is bonded in a hexagonal planar geometry to six equivalent Cl atoms. All Cl–Cl bond lengths are 2.71 Å.
DOI: 10.17188/1289276
title: Materials Data on ScGaO3 by Materials Project

description: ScGaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 octahedra that share corners with six equivalent GaO5 trigonal bipyramids and edges with six equivalent ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with six equivalent ScO6 octahedra and corners with six equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There is three shorter (1.92 Å) and two longer (1.97 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sc3+ and one Ga3+ atom to form a mixture of edge and corner-sharing OSc3Ga tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms.
DOI: 10.17188/1289277
title: Materials Data on CsRbO by Materials Project

description: CsRbO crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to four equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 2.83–3.51 Å. Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are one shorter (2.73 Å) and two longer (2.92 Å) Rb–O bond lengths. O2- is bonded in a 7-coordinate geometry to four equivalent Cs1+ and three equivalent Rb1+ atoms.
DOI: 10.17188/1289278
title: Materials Data on La3Ti2N3O4 by Materials Project

description: La3Ti2N3O4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight N3- and four equivalent O2- atoms to form LaN8O4 cuboctahedra that share corners with four equivalent LaN8O4 cuboctahedra, faces with four equivalent LaN8O4 cuboctahedra, and faces with eight equivalent TiN3O3 octahedra. There are four shorter (2.80 Å) and four longer (2.87 Å) La–N bond lengths. All La–O bond lengths are 2.94 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to two equivalent N3- and seven O2- atoms. Both La–N bond lengths are 2.61 Å. There are a spread of La–O bond distances ranging from 2.34–2.84 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to two equivalent N3- and seven O2- atoms. Both La–N bond lengths are 2.61 Å. There are a spread of La–O bond distances ranging from 2.34–2.84 Å. Ti4+ is bonded to three N3- and three O2- atoms to form TiN3O3 octahedra that share corners with five equivalent TiN3O3 octahedra and faces with four equivalent LaN8O4 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. There is one shorter (1.94 Å) and two longer (1.98 Å) Ti–N bond length. There are two shorter (1.99 Å) and one longer (2.32 Å) Ti–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ti4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Ti4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five equivalent La3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four La3+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1289279
title: Materials Data on Sm2Cu2O5 by Materials Project

description: Sm2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.78 Å. Cu2+ is bonded to five O2- atoms to form distorted corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.90–2.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sm3+ and two equivalent Cu2+ atoms to form distorted OSm4Cu2 octahedra that share corners with four equivalent OSm3Cu2 square pyramids, edges with two equivalent OSm4Cu2 octahedra, and faces with four equivalent OSm3Cu2 square pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to three equivalent Sm3+ and two equivalent Cu2+ atoms to form distorted OSm3Cu2 square pyramids that share corners with two equivalent OSm4Cu2 octahedra, corners with six equivalent OSm3Cu2 square pyramids, an edgeedge with one OSm3Cu2 square pyramid, and faces with two equivalent OSm4Cu2 octahedra. The corner-sharing octahedral tilt angles are 50°.
DOI: 10.17188/1289280
title: Materials Data on Tb2Nb2O7 by Materials Project

description: Tb2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.25 Å) and six longer (2.45 Å) Tb–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Nb–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OTb2Nb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.
DOI: 10.17188/1289281
title: Materials Data on KGePCO7 by Materials Project

description: KGeCPO7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one KGeCPO7 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.56 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.89–1.94 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.35 Å) C–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Ge4+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom.
DOI: 10.17188/1289283
title: Materials Data on CaGd2O4 by Materials Project

description: CaGd2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.30 Å) and four longer (2.65 Å) Ca–O bond lengths. Gd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of Gd–O bond distances ranging from 2.26–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Gd3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Gd3+ atoms to form distorted OCa2Gd3 trigonal bipyramids that share corners with five equivalent OCa2Gd2 tetrahedra, corners with two equivalent OCa2Gd3 trigonal bipyramids, an edgeedge with one OCa2Gd2 tetrahedra, and edges with five equivalent OCa2Gd3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Gd3+ atoms to form OCa2Gd2 tetrahedra that share corners with two equivalent OCa2Gd2 tetrahedra, corners with ten equivalent OCa2Gd3 trigonal bipyramids, and edges with two equivalent OCa2Gd3 trigonal bipyramids.
DOI: 10.17188/1289284
title: Materials Data on TbZr4O10 by Materials Project

description: TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.33 Å. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OTbZr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.
DOI: 10.17188/1289285
title: Materials Data on ErAlO3 by Materials Project

description: ErAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form distorted ErO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent ErO6 octahedra. All Er–O bond lengths are 2.25 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent ErO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.82 Å) and three longer (1.99 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Er3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OEr3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.
DOI: 10.17188/1289286
title: Materials Data on Y2MgNi2 by Materials Project

description: MgY2Ni2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All Mg–Ni bond lengths are 2.93 Å. Y is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.85 Å) and four longer (2.88 Å) Y–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Y, and one Ni atom. The Ni–Ni bond length is 2.51 Å.
DOI: 10.17188/1289287
title: Materials Data on La2Ti3O9 by Materials Project

description: La2Ti3O9 crystallizes in the cubic I23 space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.49 Å) and three longer (2.50 Å) La–O bond lengths. Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are a spread of Ti–O bond distances ranging from 1.93–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in an L-shaped geometry to two equivalent Ti4+ atoms.
DOI: 10.17188/1289288
title: Materials Data on Tm2TiO5 by Materials Project

description: Tm2TiO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form distorted TmO6 pentagonal pyramids that share a cornercorner with one TiO6 octahedra, corners with three equivalent TmO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and edges with three equivalent TmO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 30°. There are a spread of Tm–O bond distances ranging from 2.16–2.35 Å. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with two equivalent TmO6 pentagonal pyramids, and edges with six equivalent TmO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 33°. There are a spread of Ti–O bond distances ranging from 1.88–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to three equivalent Tm3+ and one Ti4+ atom to form distorted OTm3Ti trigonal pyramids that share a cornercorner with one OTm2Ti2 tetrahedra, corners with three equivalent OTm3Ti trigonal pyramids, edges with two equivalent OTm2Ti2 tetrahedra, and edges with two equivalent OTm3Ti trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Ti4+ atoms to form distorted OTm2Ti2 tetrahedra that share corners with two equivalent OTm2Ti2 tetrahedra, corners with two equivalent OTm3Ti trigonal pyramids, and edges with four equivalent OTm3Ti trigonal pyramids.
DOI: 10.17188/1289289
title: Materials Data on Ba2SrI6 by Materials Project

description: Ba2SrI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form BaI6 octahedra that share corners with six equivalent SrI6 octahedra and edges with three equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ba–I bond lengths are 3.47 Å. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with twelve equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.34 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and one Sr2+ atom.
DOI: 10.17188/1289290
title: Materials Data on NdO by Materials Project

description: NdO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 pentagonal pyramids. All Nd–O bond lengths are 2.54 Å. O2- is bonded to six equivalent Nd2+ atoms to form a mixture of face, edge, and corner-sharing ONd6 octahedra. The corner-sharing octahedral tilt angles are 48°.
DOI: 10.17188/1289291
title: Materials Data on Ba(LaI4)2 by Materials Project

description: Ba(LaI4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve I1- atoms to form distorted face-sharing BaI12 cuboctahedra. There are a spread of Ba–I bond distances ranging from 3.59–4.19 Å. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.31–3.37 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Ba2+ and two equivalent La3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent La3+ atoms. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent La3+ atoms.
DOI: 10.21227/kkhw-3m75
title: LCANet: Lightweight Context-aware Attention Networks for Earthquake Detection and Phase Picking on IoT Edge Devices

description: This data set is the result of model test trained on the basis of the Stanford earthquake dataset (stead): a global data set of seismic signals for AI, which can effectively get the seismic signal and the arrival time of seismic phase from the image, so as to prove the effectiveness of this model
DOI: 10.17188/1289292
title: Materials Data on BaSrI4 by Materials Project

description: BaSrI4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ba–I bond distances ranging from 3.55–3.66 Å. Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.43–3.53 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Ba2+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Sr2+ atoms.
DOI: 10.17188/1289293
title: Materials Data on GeP3 by Materials Project

description: GeP3 is Ilmenite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ge4+ is bonded to six equivalent P+1.33- atoms to form distorted corner-sharing GeP6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are three shorter (2.49 Å) and three longer (2.87 Å) Ge–P bond lengths. P+1.33- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ge4+ and two equivalent P+1.33- atoms. Both P–P bond lengths are 2.23 Å.
DOI: 10.17188/1289294
title: Materials Data on CsClO3 by Materials Project

description: CsO3Cl crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.27–3.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent Cs and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1289295
title: Materials Data on SmErO3 by Materials Project

description: ErSmO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Er–O bond distances ranging from 2.22–2.30 Å. Sm3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.73 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Sm3+ atoms to form distorted corner-sharing OSm2Er2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Sm3+ atoms.
DOI: 10.17188/1289296
title: Materials Data on LiGdO2 by Materials Project

description: LiGdO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.28 Å. Gd3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are four shorter (2.28 Å) and two longer (2.37 Å) Gd–O bond lengths. O2- is bonded to two equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Gd3 square pyramids.
DOI: 10.17188/1289297
title: Materials Data on LiBi3(ClO2)2 by Materials Project

description: LiBi3O4Cl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Bi–O bond lengths. There are a spread of Bi–Cl bond distances ranging from 3.33–3.42 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four Cl1- atoms. All Bi–O bond lengths are 2.28 Å. There are two shorter (3.21 Å) and two longer (3.29 Å) Bi–Cl bond lengths. O2- is bonded to one Li1+ and three Bi3+ atoms to form a mixture of distorted corner and edge-sharing OLiBi3 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Bi3+ atoms.
DOI: 10.17188/1289298
title: Materials Data on ErInO3 by Materials Project

description: ErInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.65 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of In–O bond distances ranging from 2.16–2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent In3+ atoms to form distorted corner-sharing OEr2In2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent In3+ atoms.
DOI: 10.17188/1289299
title: Materials Data on SrLa2O4 by Materials Project

description: SrLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Sr–O bond lengths are 2.50 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.44 Å) and four longer (2.45 Å) La–O bond lengths. O2- is bonded to one Sr2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OSrLa3 tetrahedra.