cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681616
title: Materials Data on KCr(MoO4)2 by Materials Project

description: KCr(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded to eight O2- atoms to form distorted KO8 hexagonal bipyramids that share corners with four equivalent MoO4 tetrahedra, edges with two equivalent KO8 hexagonal bipyramids, edges with two equivalent CrO6 octahedra, and edges with two equivalent MoO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.79–3.07 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent KO8 hexagonal bipyramids, corners with three equivalent CrO6 octahedra, and an edgeedge with one KO8 hexagonal bipyramid. The corner-sharing octahedra tilt angles range from 25–53°. There are a spread of Mo–O bond distances ranging from 1.75–1.83 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MoO4 tetrahedra and edges with two equivalent KO8 hexagonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.99–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Mo6+, and one Cr3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Cr3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Mo6+, and one Cr3+ atom.
DOI: 10.17188/1681617
title: Materials Data on U5SiS4 by Materials Project

description: U5SiS4 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are six inequivalent U sites. In the first U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the second U site, U is bonded to two equivalent Si and four equivalent S atoms to form a mixture of edge and corner-sharing USi2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. Both U–Si bond lengths are 2.76 Å. All U–S bond lengths are 2.76 Å. In the third U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the fourth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the fifth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. In the sixth U site, U is bonded to one Si and five equivalent S atoms to form a mixture of edge and corner-sharing USiS5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. The U–Si bond length is 2.80 Å. There are two shorter (2.74 Å) and three longer (2.76 Å) U–S bond lengths. Si is bonded to six U atoms to form SiU6 octahedra that share corners with two equivalent SiU6 octahedra, corners with four equivalent SU6 octahedra, and edges with twelve equivalent SU6 octahedra. The corner-sharing octahedral tilt angles are 0°. S is bonded to six U atoms to form SU6 octahedra that share a cornercorner with one SiU6 octahedra, corners with five equivalent SU6 octahedra, edges with three equivalent SiU6 octahedra, and edges with nine equivalent SU6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.
DOI: 10.17188/1681618
title: Materials Data on Na2LiBiF6 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: 10.17188/1681619
title: Materials Data on Ho5RuI7 by Materials Project

description: Ho5RuI7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ru and three equivalent I atoms to form edge-sharing HoRu3I3 octahedra. All Ho–Ru bond lengths are 2.80 Å. All Ho–I bond lengths are 3.29 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ru and five I atoms. The Ho–Ru bond length is 2.68 Å. There are a spread of Ho–I bond distances ranging from 3.15–3.49 Å. In the third Ho site, Ho is bonded to six I atoms to form edge-sharing HoI6 octahedra. There are three shorter (3.07 Å) and three longer (3.08 Å) Ho–I bond lengths. Ru is bonded to six Ho atoms to form edge-sharing RuHo6 octahedra. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Ho atoms. In the third I site, I is bonded in a distorted see-saw-like geometry to four Ho atoms.
DOI: 10.17188/1681621
title: Materials Data on Na2LiTbCl6 by Materials Project

description: (Na)2LiTbCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one LiTbCl6 framework. In the LiTbCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.62 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Tb3+ atom.
DOI: 10.17188/1681622
title: Materials Data on Li2TiMnO4 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: 10.17188/1681623
title: Materials Data on HfCo3 by Materials Project

description: HfCo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to twelve Co atoms to form HfCo12 cuboctahedra that share corners with six equivalent HfCo12 cuboctahedra, corners with twelve CoHf4Co8 cuboctahedra, edges with eighteen CoHf4Co8 cuboctahedra, faces with eight equivalent HfCo12 cuboctahedra, and faces with twelve CoHf4Co8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.69 Å) Hf–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Hf and eight Co atoms to form distorted CoHf4Co8 cuboctahedra that share corners with four equivalent HfCo12 cuboctahedra, corners with fourteen CoHf4Co8 cuboctahedra, edges with six equivalent HfCo12 cuboctahedra, edges with twelve CoHf4Co8 cuboctahedra, faces with four equivalent HfCo12 cuboctahedra, and faces with sixteen CoHf4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.85 Å. In the second Co site, Co is bonded to four equivalent Hf and eight equivalent Co atoms to form distorted CoHf4Co8 cuboctahedra that share corners with four equivalent HfCo12 cuboctahedra, corners with fourteen CoHf4Co8 cuboctahedra, edges with six equivalent HfCo12 cuboctahedra, edges with twelve equivalent CoHf4Co8 cuboctahedra, faces with four equivalent HfCo12 cuboctahedra, and faces with sixteen CoHf4Co8 cuboctahedra. In the third Co site, Co is bonded to four equivalent Hf and eight equivalent Co atoms to form distorted CoHf4Co8 cuboctahedra that share corners with four equivalent HfCo12 cuboctahedra, corners with fourteen CoHf4Co8 cuboctahedra, edges with six equivalent HfCo12 cuboctahedra, edges with twelve equivalent CoHf4Co8 cuboctahedra, faces with four equivalent HfCo12 cuboctahedra, and faces with sixteen CoHf4Co8 cuboctahedra.
DOI: 10.17188/1681624
title: Materials Data on YSiRu2C by Materials Project

description: YRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.12 Å) Y–Si bond lengths. All Y–C bond lengths are 2.67 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted edge and corner-sharing RuSi3C tetrahedra. There are two shorter (2.47 Å) and one longer (2.48 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Ru+2.50+ atoms to form a mixture of edge and corner-sharing CY4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.
DOI: 10.17188/1681626
title: Materials Data on Cs2AsAuF6 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: 10.17188/1681627
title: Materials Data on NdBiRu2O7 by Materials Project

description: NdBiRu2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Nd3+ is bonded to eight O2- atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent NdO8 hexagonal bipyramids, edges with four equivalent BiO8 hexagonal bipyramids, and edges with six RuO6 octahedra. There are a spread of Nd–O bond distances ranging from 2.26–2.58 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra, edges with two equivalent BiO8 hexagonal bipyramids, and edges with four equivalent NdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–48°. There are two shorter (2.01 Å) and four longer (2.02 Å) Ru–O bond lengths. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra, edges with two equivalent NdO8 hexagonal bipyramids, and edges with four equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ru–O bond lengths. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with two equivalent BiO8 hexagonal bipyramids, edges with four equivalent NdO8 hexagonal bipyramids, and edges with six RuO6 octahedra. There are two shorter (2.25 Å) and six longer (2.57 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Bi3+ atoms to form ONd2Bi2 tetrahedra that share corners with six ONd2Bi2 tetrahedra and an edgeedge with one ONd2Ru2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+, two Ru4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing ONd2Ru2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru4+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1681628
title: Materials Data on TbMnO3 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: 10.17188/1681629
title: Materials Data on Mg2Sb by Materials Project

description: Mg2Sb is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Sb sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sb atoms to form a mixture of distorted corner and face-sharing MgSb3 cuboctahedra. All Mg–Sb bond lengths are 3.23 Å. Sb is bonded to six equivalent Mg atoms to form distorted edge-sharing SbMg6 cuboctahedra.
DOI: 10.17188/1681630
title: Materials Data on YAu by Materials Project

description: YAu is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Y–Au bond distances ranging from 3.03–3.12 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Y atoms.
DOI: 10.17188/1681631
title: Materials Data on Li2Fe3CoO8 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: 10.17188/1681632
title: Materials Data on Li2CoSi3O8 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: 10.17188/1681633
title: Materials Data on Pr3NiGe2 by Materials Project

description: Pr3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Pr–Ni bond length is 2.96 Å. There are a spread of Pr–Ge bond distances ranging from 3.11–3.35 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Pr–Ni bond lengths are 2.93 Å. There are a spread of Pr–Ge bond distances ranging from 3.09–3.78 Å. In the third Pr site, Pr is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are one shorter (3.07 Å) and two longer (3.12 Å) Pr–Ni bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.08–3.19 Å. Ni is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are one shorter (2.56 Å) and two longer (2.57 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Pr and one Ni atom.
DOI: 10.17188/1681634
title: Materials Data on Mn3SbO8 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: 10.17188/1681635
title: Materials Data on Cs8In2O7 by Materials Project

description: Cs8In2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.33 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.22 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.26 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.89–3.07 Å. In3+ is bonded to four O2- atoms to form corner-sharing InO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.10–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Cs1+ and two equivalent In3+ atoms to form distorted edge-sharing OCs4In2 octahedra. In the second O2- site, O2- is bonded to five Cs1+ and one In3+ atom to form distorted edge-sharing OCs5In octahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one In3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one In3+ atom.
DOI: 10.17188/1681636
title: Materials Data on NbAlTc2 by Materials Project

description: NbTc2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbTc2Al ribbons oriented in the (1, 0, 0) direction. Nb3+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Nb–Tc bond lengths are 2.24 Å. Tc3- is bonded in a linear geometry to one Nb3+ and one Al3+ atom. The Tc–Al bond length is 2.54 Å. Al3+ is bonded in a linear geometry to two equivalent Tc3- atoms.
DOI: 10.17188/1681637
title: Materials Data on Mg2Pd by Materials Project

description: Mg2Pd crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg2Pd sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to four equivalent Pd atoms. There are two shorter (2.75 Å) and two longer (2.77 Å) Mg–Pd bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1681638
title: Materials Data on YbBeF4 by Materials Project

description: BeYbF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.50–1.65 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.63 Å. There are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Yb–F bond distances ranging from 2.20–2.45 Å. In the second Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Yb–F bond distances ranging from 2.18–2.38 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Yb2+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ and one Yb2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Yb2+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms.
DOI: 10.17188/1681639
title: Materials Data on Sb2Te2Se by Materials Project

description: Sb2SeTe2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with three equivalent SbTe3Se3 octahedra and edges with nine SbTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.02 Å) and three longer (3.21 Å) Sb–Te bond lengths. In the second Sb3+ site, Sb3+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form distorted SbTe3Se3 octahedra that share corners with three equivalent SbTe6 octahedra, corners with three equivalent TeSb3Se3 octahedra, edges with three equivalent TeSb3Se3 octahedra, and edges with nine SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–19°. All Sb–Te bond lengths are 3.17 Å. All Sb–Se bond lengths are 2.86 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Sb3+ and three equivalent Se2- atoms to form distorted TeSb3Se3 octahedra that share corners with three equivalent SbTe3Se3 octahedra, corners with three equivalent TeSb6 octahedra, edges with three equivalent SbTe3Se3 octahedra, and edges with nine TeSb3Se3 octahedra. The corner-sharing octahedra tilt angles range from 4–19°. All Te–Se bond lengths are 3.86 Å. In the second Te2- site, Te2- is bonded to six Sb3+ atoms to form a mixture of corner and edge-sharing TeSb6 octahedra. The corner-sharing octahedral tilt angles are 4°. Se2- is bonded in a 6-coordinate geometry to three equivalent Sb3+ and three equivalent Te2- atoms.
DOI: 10.17188/1681640
title: Materials Data on Li5Mn4O8 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: 10.17188/1681641
title: Materials Data on DyIn7Cu5 by Materials Project

description: DyCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Dy–Cu bond distances ranging from 3.49–3.66 Å. There are a spread of Dy–In bond distances ranging from 3.18–3.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.76 Å. There are a spread of Cu–In bond distances ranging from 2.70–3.01 Å. In the second Cu site, Cu is bonded to two equivalent Dy, four equivalent Cu, and six In atoms to form distorted edge-sharing CuDy2In6Cu4 cuboctahedra. There are a spread of Cu–In bond distances ranging from 2.75–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Dy, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 2.98–3.19 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Dy, six Cu, and three In atoms. Both In–In bond lengths are 3.34 Å. In the third In site, In is bonded in a 6-coordinate geometry to one Dy, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.00–3.16 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.90 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Dy, five Cu, and five In atoms.