cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1692720
title: Materials Data on Th2Mn17C2 by Materials Project

description: Th2Mn17C2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a distorted bent 120 degrees geometry to eight Mn and two equivalent C atoms. There are a spread of Th–Mn bond distances ranging from 2.97–3.40 Å. Both Th–C bond lengths are 2.57 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to three equivalent Th and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.46–2.76 Å. In the second Mn site, Mn is bonded in a single-bond geometry to five Mn and one C atom. There are a spread of Mn–Mn bond distances ranging from 2.43–2.61 Å. The Mn–C bond length is 1.89 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to ten Mn atoms. There are four shorter (2.42 Å) and two longer (2.62 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to two equivalent Th and ten Mn atoms to form distorted MnTh2Mn10 cuboctahedra that share corners with two equivalent MnTh2Mn10 cuboctahedra, corners with two equivalent CTh2Mn4 octahedra, faces with two equivalent MnTh2Mn10 cuboctahedra, and faces with two equivalent CTh2Mn4 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Mn–Mn bond distances ranging from 2.40–2.66 Å. In the fifth Mn site, Mn is bonded in a distorted q6 geometry to two equivalent Th and ten Mn atoms. There are two shorter (2.36 Å) and two longer (2.60 Å) Mn–Mn bond lengths. In the sixth Mn site, Mn is bonded in a single-bond geometry to six Mn and one C atom. There are one shorter (2.65 Å) and one longer (2.68 Å) Mn–Mn bond lengths. The Mn–C bond length is 1.91 Å. In the seventh Mn site, Mn is bonded in a 1-coordinate geometry to one Th and thirteen Mn atoms. The Mn–Mn bond length is 2.35 Å. C is bonded to two equivalent Th and four Mn atoms to form CTh2Mn4 octahedra that share corners with two equivalent MnTh2Mn10 cuboctahedra, corners with two equivalent CTh2Mn4 octahedra, and faces with two equivalent MnTh2Mn10 cuboctahedra. The corner-sharing octahedral tilt angles are 64°.
DOI: 10.17188/1692721
title: Materials Data on Li2Mn3NbO8 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: 10.17188/1692722
title: Materials Data on Sr2LaGaO5 by Materials Project

description: Sr2LaGaO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.86–2.92 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.79 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.78 Å. Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.87 Å) Ga–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, two equivalent La3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one La3+, and one Ga3+ atom. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent La3+ atoms to form corner-sharing OSr4La2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.
DOI: 10.17188/1692723
title: Materials Data on SrFe4(CuO4)3 by Materials Project

description: SrCu3Fe4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share faces with eight equivalent FeO6 octahedra. All Sr–O bond lengths are 2.68 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. All Fe–O bond lengths are 2.02 Å. Cu is bonded in a square co-planar geometry to four equivalent O atoms. All Cu–O bond lengths are 1.88 Å. O is bonded in a 3-coordinate geometry to one Sr, two equivalent Fe, and one Cu atom.
DOI: 10.17188/1692724
title: Materials Data on Y4Ti2Nb2O15 by Materials Project

description: Y4Ti2Nb2O15 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.62 Å. In the second Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.19–2.63 Å. Ti4+ is bonded to seven O2- atoms to form distorted TiO7 pentagonal bipyramids that share a cornercorner with one TiO7 pentagonal bipyramid, corners with two equivalent NbO7 pentagonal bipyramids, an edgeedge with one TiO7 pentagonal bipyramid, and edges with two equivalent NbO7 pentagonal bipyramids. There are a spread of Ti–O bond distances ranging from 2.00–2.13 Å. Nb5+ is bonded to seven O2- atoms to form distorted NbO7 pentagonal bipyramids that share a cornercorner with one NbO7 pentagonal bipyramid, corners with two equivalent TiO7 pentagonal bipyramids, an edgeedge with one NbO7 pentagonal bipyramid, and edges with two equivalent TiO7 pentagonal bipyramids. There are a spread of Nb–O bond distances ranging from 2.02–2.11 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra and edges with six OY2Nb2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Nb5+ atoms to form a mixture of edge and corner-sharing OY2Nb2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing OY2Ti2 tetrahedra. In the fifth O2- site, O2- is bonded to two Y3+, one Ti4+, and one Nb5+ atom to form a mixture of edge and corner-sharing OY2TiNb tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+, one Ti4+, and one Nb5+ atom. In the ninth O2- site, O2- is bonded to two equivalent Ti4+ and two equivalent Nb5+ atoms to form edge-sharing OTi2Nb2 tetrahedra.
DOI: 10.17188/1692726
title: Materials Data on Ba2UCo by Materials Project

description: Ba2UCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Co atoms. All Ba–U bond lengths are 3.37 Å. All Ba–Co bond lengths are 3.37 Å. U is bonded in a distorted body-centered cubic geometry to eight equivalent Ba atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1692727
title: Materials Data on P2W5O19 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: 10.17188/1692728
title: Materials Data on V3Cu2Te(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: 10.17188/1692729
title: Materials Data on Th2Sb3 by Materials Project

description: (ThSb)2Sb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule and two ThSb clusters. In each ThSb cluster, Th4+ is bonded in a single-bond geometry to one Sb+2.67- atom. The Th–Sb bond length is 2.71 Å. Sb+2.67- is bonded in a single-bond geometry to one Th4+ atom.
DOI: 10.17188/1692730
title: Materials Data on BaFe2(P2O7)2 by Materials Project

description: BaFe2(P2O7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.18 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.08 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–52°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–50°. There are a spread of P–O bond distances ranging from 1.52–1.62 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Fe3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Fe3+, and one P5+ atom.
DOI: 10.17188/1692731
title: Materials Data on LiVSiO5 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: 10.17188/1692733
title: Materials Data on PdS(NO)3 by Materials Project

description: PdN3SO3 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfur trioxide molecules and four PdN3 clusters. In each PdN3 cluster, Pd2+ is bonded in a distorted trigonal non-coplanar geometry to three N2+ atoms. There are a spread of Pd–N bond distances ranging from 1.76–1.91 Å. There are three inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom. In the second N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom. In the third N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom.
DOI: 10.17188/1692734
title: Materials Data on CsSbPO4F3 by Materials Project

description: CsSbPO4F3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to three O2- and six F1- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.27 Å. There are a spread of Cs–F bond distances ranging from 3.03–3.37 Å. Sb5+ is bonded to three O2- and three F1- atoms to form SbO3F3 octahedra that share corners with three equivalent PO4 tetrahedra. There are one shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. All Sb–F bond lengths are 1.94 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SbO3F3 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There is one shorter (1.48 Å) and three longer (1.60 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Sb5+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Sb5+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one P5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb5+ atom.
DOI: 10.17188/1692737
title: Materials Data on NaSbWO6 by Materials Project

description: NaWSbO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.56 Å) and four longer (2.61 Å) Na–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–42°. All W–O bond lengths are 1.94 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. All Sb–O bond lengths are 2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W6+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb5+ atoms to form distorted corner-sharing ONa2Sb2 tetrahedra.
DOI: 10.17188/1692738
title: Materials Data on CaSn2S5 by Materials Project

description: CaSn2S5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ca–S bond distances ranging from 2.87–3.26 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ca–S bond distances ranging from 2.84–3.49 Å. There are five inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with two equivalent SnS6 octahedra and corners with four SnS4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.52 Å) and four longer (2.63 Å) Sn–S bond lengths. In the second Sn4+ site, Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with two equivalent SnS6 octahedra and corners with four SnS4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Sn–S bond distances ranging from 2.54–2.62 Å. In the third Sn4+ site, Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with two SnS6 octahedra and corners with four SnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sn–S bond distances ranging from 2.51–2.76 Å. In the fourth Sn4+ site, Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–67°. There are a spread of Sn–S bond distances ranging from 2.40–2.44 Å. In the fifth Sn4+ site, Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–65°. There are a spread of Sn–S bond distances ranging from 2.41–2.43 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca2+ and two Sn4+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two Sn4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two Sn4+ atoms. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Ca2+ and two Sn4+ atoms. In the fifth S2- site, S2- is bonded in a trigonal planar geometry to one Ca2+ and two Sn4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to two Ca2+ and two Sn4+ atoms. In the seventh S2- site, S2- is bonded in a distorted T-shaped geometry to one Ca2+ and two Sn4+ atoms. In the eighth S2- site, S2- is bonded in a trigonal planar geometry to one Ca2+ and two Sn4+ atoms. In the ninth S2- site, S2- is bonded to two Ca2+ and two Sn4+ atoms to form distorted corner-sharing SCa2Sn2 tetrahedra. In the tenth S2- site, S2- is bonded in a distorted T-shaped geometry to one Ca2+ and two Sn4+ atoms.
DOI: 10.17188/1692739
title: Materials Data on LiSc2Co by Materials Project

description: LiSc2Co crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2Co ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Sc atoms. Both Li–Sc bond lengths are 3.20 Å. Sc is bonded in a linear geometry to one Li and one Co atom. The Sc–Co bond length is 2.06 Å. Co is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1692740
title: Materials Data on DyMnAl by Materials Project

description: DyMnAl is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.30 Å) and two longer (3.36 Å) Dy–Dy bond lengths. There are two shorter (3.11 Å) and four longer (3.23 Å) Dy–Mn bond lengths. There are two shorter (3.18 Å) and four longer (3.19 Å) Dy–Al bond lengths. Mn is bonded to six equivalent Dy, two equivalent Mn, and four equivalent Al atoms to form MnDy6Mn2Al4 cuboctahedra that share corners with eight equivalent AlDy6Mn4Al2 cuboctahedra, corners with ten equivalent MnDy6Mn2Al4 cuboctahedra, edges with six equivalent MnDy6Mn2Al4 cuboctahedra, faces with six equivalent MnDy6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlDy6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.73 Å. All Mn–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Dy, four equivalent Mn, and two equivalent Al atoms to form AlDy6Mn4Al2 cuboctahedra that share corners with eight equivalent MnDy6Mn2Al4 cuboctahedra, corners with ten equivalent AlDy6Mn4Al2 cuboctahedra, edges with six equivalent AlDy6Mn4Al2 cuboctahedra, faces with six equivalent AlDy6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnDy6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.76 Å.
DOI: 10.17188/1692741
title: Materials Data on Sm5CuPb3 by Materials Project

description: Sm5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Sm–Pb bond lengths are 3.43 Å. In the second Sm site, Sm is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing SmCu2Pb5 pentagonal bipyramids. Both Sm–Cu bond lengths are 2.97 Å. There are a spread of Sm–Pb bond distances ranging from 3.26–3.69 Å. Cu is bonded to six equivalent Sm atoms to form face-sharing CuSm6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Sm atoms.
DOI: 10.17188/1692742
title: Materials Data on Li2MnO2 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: 10.17188/1692743
title: Materials Data on UCuSi by Materials Project

description: UCuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to two equivalent U3+ and six equivalent Si4- atoms. Both U–U bond lengths are 2.78 Å. All U–Si bond lengths are 2.94 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.59 Å. Si4- is bonded in a 11-coordinate geometry to six equivalent U3+, three equivalent Cu1+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.78 Å.
DOI: 10.17188/1692744
title: Materials Data on Li2VF5 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: 10.17188/1692745
title: Materials Data on RbDy2Ag3Te5 by Materials Project

description: RbDy2Ag3Te5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.75–3.84 Å. Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with four equivalent AgAgTe4 tetrahedra, edges with four equivalent DyTe6 octahedra, and edges with five AgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Dy–Te bond distances ranging from 3.09–3.17 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six AgTe4 tetrahedra and edges with four equivalent DyTe6 octahedra. There are two shorter (2.78 Å) and two longer (2.89 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded to one Ag1+ and four Te2- atoms to form distorted AgAgTe4 tetrahedra that share corners with two equivalent TeRbDy3Ag2 octahedra, corners with four equivalent DyTe6 octahedra, corners with four AgTe4 tetrahedra, edges with three equivalent DyTe6 octahedra, and an edgeedge with one AgAgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–63°. The Ag–Ag bond length is 2.99 Å. There are a spread of Ag–Te bond distances ranging from 2.84–2.92 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Dy3+, and two equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two equivalent Dy3+, and three Ag1+ atoms. In the third Te2- site, Te2- is bonded to one Rb1+, three equivalent Dy3+, and two equivalent Ag1+ atoms to form distorted TeRbDy3Ag2 octahedra that share a cornercorner with one TeRbDy3Ag2 octahedra, corners with two equivalent AgAgTe4 tetrahedra, and edges with four equivalent TeRbDy3Ag2 octahedra. The corner-sharing octahedral tilt angles are 61°.
DOI: 10.5281/zenodo.2586084
title: A Meta-Analysis on the Reliability of Comparative Judgement Data

description: This is the data and R analysis script with the article "A Meta-Analysis on the Reliability of Comparative Judgement"