cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1752717
title: Materials Data on Fe6O7F5 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: 10.17188/1752718
title: Materials Data on InRhO3 by Materials Project

description: RhInO3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–O bond distances ranging from 2.07–2.10 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are a spread of Rh–O bond distances ranging from 2.09–2.14 Å. In the third Rh3+ site, Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are four shorter (2.07 Å) and two longer (2.09 Å) Rh–O bond lengths. In the fourth Rh3+ site, Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are four shorter (2.08 Å) and two longer (2.12 Å) Rh–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.16–2.32 Å. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of In–O bond distances ranging from 2.15–2.33 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two Rh3+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 tetrahedra. In the second O2- site, O2- is bonded to two Rh3+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 tetrahedra. In the third O2- site, O2- is bonded to two Rh3+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 tetrahedra. In the fourth O2- site, O2- is bonded to two Rh3+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 tetrahedra. In the fifth O2- site, O2- is bonded to two Rh3+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 trigonal pyramids. In the sixth O2- site, O2- is bonded to two Rh3+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing OIn2Rh2 tetrahedra.
DOI: 10.17188/1752719
title: Materials Data on NaMn4O8 by Materials Project

description: NaMn4O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.40 Å) and four longer (2.53 Å) Na–O bond lengths. There are three inequivalent Mn+3.75+ sites. In the first Mn+3.75+ site, Mn+3.75+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There is four shorter (1.95 Å) and two longer (1.97 Å) Mn–O bond length. In the second Mn+3.75+ site, Mn+3.75+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. In the third Mn+3.75+ site, Mn+3.75+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.18 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Mn+3.75+ atoms. In the second O2- site, O2- is bonded to one Na1+ and three Mn+3.75+ atoms to form a mixture of distorted edge and corner-sharing ONaMn3 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+ and three Mn+3.75+ atoms.
DOI: 10.17188/1752720
title: Materials Data on HoThOs2 by Materials Project

description: ThHoOs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Th–Os bond lengths are 3.02 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ho–Os bond lengths are 3.02 Å. Os is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ho atoms.
DOI: 10.17188/1752722
title: Materials Data on Al3(MoSe2)4 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: 10.17188/1752723
title: Materials Data on CsVSO6 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: 10.17188/1752724
title: Materials Data on Mg5Si6 by Materials Project

description: Mg5Si6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a rectangular see-saw-like geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.80 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.86–3.21 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.92 Å. In the fourth Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.84–3.07 Å. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.26 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. The Si–Si bond length is 2.40 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.51 Å. In the fourth Si site, Si is bonded to three Mg and four Si atoms to form a mixture of distorted edge and corner-sharing SiMg3Si4 hexagonal pyramids. There are a spread of Si–Si bond distances ranging from 2.37–2.60 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. The Si–Si bond length is 2.41 Å. In the sixth Si site, Si is bonded in a 1-coordinate geometry to seven Mg and three equivalent Si atoms.
DOI: 10.17188/1752725
title: Materials Data on Mn3CrNi2(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: 10.17188/1752728
title: Materials Data on In12Se19N2 by Materials Project

description: In12Se19N2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two ammonia molecules and one In12Se19 framework. In the In12Se19 framework, there are six inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with two InSe4 tetrahedra and corners with four InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.57–2.71 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with two InSe4 tetrahedra and corners with four InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.58–2.71 Å. In the third In3+ site, In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with two InSe4 tetrahedra and corners with four InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.58–2.71 Å. In the fourth In3+ site, In3+ is bonded to five Se2- atoms to form distorted InSe5 trigonal pyramids that share corners with four InSe4 tetrahedra, corners with three InSe5 trigonal pyramids, and edges with three InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.61–3.48 Å. In the fifth In3+ site, In3+ is bonded to five Se2- atoms to form InSe5 trigonal pyramids that share corners with four InSe4 tetrahedra, corners with three InSe5 trigonal pyramids, and edges with three InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.61–3.58 Å. In the sixth In3+ site, In3+ is bonded to five Se2- atoms to form distorted InSe5 trigonal pyramids that share corners with four InSe4 tetrahedra, corners with three InSe5 trigonal pyramids, and edges with three InSe5 trigonal pyramids. There are a spread of In–Se bond distances ranging from 2.61–3.52 Å. There are ten inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three In3+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three In3+ atoms. In the third Se2- site, Se2- is bonded in a distorted T-shaped geometry to three In3+ atoms. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to six In3+ atoms. In the fifth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the sixth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the seventh Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In3+ atoms. In the eighth Se2- site, Se2- is bonded in a water-like geometry to two In3+ atoms. In the ninth Se2- site, Se2- is bonded in a water-like geometry to two In3+ atoms. In the tenth Se2- site, Se2- is bonded in a water-like geometry to two In3+ atoms.
DOI: 10.17188/1752730
title: Materials Data on H2 by Materials Project

description: H2 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen molecules and four molecular hydrogen molecules.
DOI: 10.17188/1752731
title: Materials Data on MgCrCoS4 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: 10.17188/1752732
title: Materials Data on NdCoO3 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: 10.17188/1752733
title: Materials Data on TbNiP by Materials Project

description: TbNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 2.95 Å. All Tb–P bond lengths are 3.00 Å. In the second Tb site, Tb is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing TbNi6P6 cuboctahedra. All Tb–Ni bond lengths are 3.01 Å. All Tb–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Tb and three equivalent P atoms. All Ni–P bond lengths are 2.26 Å. P is bonded in a 3-coordinate geometry to six Tb and three equivalent Ni atoms.
DOI: 10.17188/1752734
title: Materials Data on Li6Mn5CoO12 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: 10.17188/1752737
title: Materials Data on Sc9Te2 by Materials Project

description: Sc9Te2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are fourteen inequivalent Sc sites. In the first Sc site, Sc is bonded in a 2-coordinate geometry to two Sc and two Te atoms. There are one shorter (3.12 Å) and one longer (3.23 Å) Sc–Sc bond lengths. There are one shorter (3.01 Å) and one longer (3.22 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 2-coordinate geometry to one Sc and two equivalent Te atoms. The Sc–Sc bond length is 3.36 Å. Both Sc–Te bond lengths are 2.98 Å. In the third Sc site, Sc is bonded in a distorted L-shaped geometry to one Sc and two equivalent Te atoms. The Sc–Sc bond length is 3.38 Å. Both Sc–Te bond lengths are 2.95 Å. In the fourth Sc site, Sc is bonded in a 2-coordinate geometry to two Sc and two Te atoms. There are one shorter (3.13 Å) and one longer (3.25 Å) Sc–Sc bond lengths. There are one shorter (3.00 Å) and one longer (3.23 Å) Sc–Te bond lengths. In the fifth Sc site, Sc is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Sc–Te bond lengths. In the sixth Sc site, Sc is bonded in a 2-coordinate geometry to one Sc and two equivalent Te atoms. The Sc–Sc bond length is 3.36 Å. Both Sc–Te bond lengths are 2.98 Å. In the seventh Sc site, Sc is bonded in a 11-coordinate geometry to eleven Sc atoms. There are a spread of Sc–Sc bond distances ranging from 3.00–3.43 Å. In the eighth Sc site, Sc is bonded in a 1-coordinate geometry to two Sc and one Te atom. The Sc–Sc bond length is 3.14 Å. The Sc–Te bond length is 3.11 Å. In the ninth Sc site, Sc is bonded in a 4-coordinate geometry to four Te atoms. All Sc–Te bond lengths are 3.00 Å. In the tenth Sc site, Sc is bonded in a distorted L-shaped geometry to one Sc and two equivalent Te atoms. The Sc–Sc bond length is 3.38 Å. Both Sc–Te bond lengths are 2.96 Å. In the eleventh Sc site, Sc is bonded in a 4-coordinate geometry to one Sc and four Te atoms. There are two shorter (3.02 Å) and two longer (3.09 Å) Sc–Te bond lengths. In the twelfth Sc site, Sc is bonded in a 11-coordinate geometry to eleven Sc atoms. There are two shorter (3.00 Å) and one longer (3.44 Å) Sc–Sc bond lengths. In the thirteenth Sc site, Sc is bonded in a 1-coordinate geometry to two Sc and one Te atom. The Sc–Te bond length is 3.11 Å. In the fourteenth Sc site, Sc is bonded in a 4-coordinate geometry to one Sc and four Te atoms. There are two shorter (3.04 Å) and two longer (3.09 Å) Sc–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Te site, Te is bonded in a 9-coordinate geometry to nine Sc atoms.
DOI: 10.17188/1752738
title: Materials Data on Co3SiMo2 by Materials Project

description: Co3Mo2Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded in a 12-coordinate geometry to four equivalent Mo, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.70 Å) and three longer (2.93 Å) Mo–Mo bond lengths. There are three shorter (2.70 Å) and six longer (2.74 Å) Mo–Co bond lengths. All Mo–Si bond lengths are 2.80 Å. Co is bonded to six equivalent Mo, four equivalent Co, and two equivalent Si atoms to form CoCo4Si2Mo6 cuboctahedra that share corners with four equivalent SiCo6Mo6 cuboctahedra, corners with fourteen equivalent CoCo4Si2Mo6 cuboctahedra, edges with six equivalent CoCo4Si2Mo6 cuboctahedra, faces with six equivalent SiCo6Mo6 cuboctahedra, and faces with twelve equivalent CoCo4Si2Mo6 cuboctahedra. There are two shorter (2.32 Å) and two longer (2.45 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.33 Å. Si is bonded to six equivalent Mo and six equivalent Co atoms to form SiCo6Mo6 cuboctahedra that share corners with twelve equivalent CoCo4Si2Mo6 cuboctahedra, edges with six equivalent SiCo6Mo6 cuboctahedra, faces with two equivalent SiCo6Mo6 cuboctahedra, and faces with eighteen equivalent CoCo4Si2Mo6 cuboctahedra.
DOI: 10.17188/1752739
title: Materials Data on TbTa5Ag2O15 by Materials Project

description: TbTa5Ag2O15 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb3+ is bonded to twelve O2- atoms to form TbO12 cuboctahedra that share faces with two equivalent TbO12 cuboctahedra and faces with eight equivalent TaO6 octahedra. There are four shorter (2.59 Å) and eight longer (2.66 Å) Tb–O bond lengths. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. There is two shorter (1.96 Å) and four longer (2.00 Å) Ta–O bond length. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and faces with two equivalent TbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 12–42°. There are a spread of Ta–O bond distances ranging from 1.92–2.05 Å. Ag1+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Ag–O bond distances ranging from 2.70–3.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ta5+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+, two equivalent Ta5+, and one Ag1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and two equivalent Ag1+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ and two equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tb3+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1752740
title: Materials Data on Au3N3(Cl6O)2 by Materials Project

description: AuCl4Au2N(OCl4)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four Au2N(OCl4)2 clusters, and four AuCl4 clusters. In each Au2N(OCl4)2 cluster, Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.43 Å. N+2.33+ is bonded in a linear geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.08 Å. O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.53 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one N+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one O2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Au–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ atom.
DOI: 10.17188/1752741
title: Materials Data on CaO 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: 10.17188/1752742
title: Materials Data on Li6MnV3(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: 10.17188/1752743
title: Materials Data on Sc6CuTe2 by Materials Project

description: Sc6CuTe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to one Cu and four Te atoms. The Sc–Cu bond length is 3.30 Å. There are a spread of Sc–Te bond distances ranging from 2.92–3.12 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to one Cu and one Te atom. The Sc–Cu bond length is 3.12 Å. The Sc–Te bond length is 2.96 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to three equivalent Cu and two equivalent Te atoms. There are two shorter (2.78 Å) and one longer (3.00 Å) Sc–Cu bond lengths. Both Sc–Te bond lengths are 3.01 Å. In the fourth Sc site, Sc is bonded to two equivalent Cu and three Te atoms to form distorted edge-sharing ScCu2Te3 trigonal bipyramids. Both Sc–Cu bond lengths are 2.72 Å. There are one shorter (2.92 Å) and two longer (2.99 Å) Sc–Te bond lengths. In the fifth Sc site, Sc is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (2.94 Å) and two longer (2.96 Å) Sc–Te bond lengths. In the sixth Sc site, Sc is bonded in a 3-coordinate geometry to two equivalent Cu and one Te atom. Both Sc–Cu bond lengths are 2.79 Å. The Sc–Te bond length is 3.03 Å. Cu is bonded in a 9-coordinate geometry to nine Sc atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Sc atoms. In the second Te site, Te is bonded to seven Sc atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids.
DOI: 10.17188/1752745
title: Materials Data on DyGe2Ir by Materials Project

description: DyIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Dy–Ir bond lengths are 3.18 Å. There are a spread of Dy–Ge bond distances ranging from 3.27–3.40 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.24 Å) and two longer (3.27 Å) Dy–Ir bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.95–3.48 Å. Ir is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Dy and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.72 Å.