cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1721008
title: Materials Data on Li5Mn2CoO8 by Materials Project

description: Li5Mn2CoO8 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Li–O bond distances ranging from 2.11–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent LiO6 octahedra, corners with three equivalent CoO6 octahedra, an edgeedge with one CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–12°. There are a spread of Li–O bond distances ranging from 2.06–2.15 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. There are four shorter (2.03 Å) and two longer (2.18 Å) Li–O bond lengths. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with two equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. There are four shorter (1.92 Å) and two longer (2.17 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two equivalent Mn+4.50+ atoms to form a mixture of edge and corner-sharing OLi4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to four Li1+, one Mn+4.50+, and one Co2+ atom to form OLi4MnCo octahedra that share corners with six equivalent OLi4MnCo octahedra and edges with twelve OLi4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Mn+4.50+, and one Co2+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1721009
title: Materials Data on NdMgCu4 by Materials Project

description: NdMgCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Nd and twelve equivalent Cu atoms. All Mg–Nd bond lengths are 3.16 Å. All Mg–Cu bond lengths are 3.02 Å. Nd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Cu atoms. All Nd–Cu bond lengths are 3.03 Å. Cu is bonded to three equivalent Mg, three equivalent Nd, and six equivalent Cu atoms to form a mixture of face, edge, and corner-sharing CuNd3Mg3Cu6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.63 Å) Cu–Cu bond lengths.
DOI: 10.17188/1721010
title: Materials Data on DyMg(BO2)5 by Materials Project

description: MgDy(BO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.08–2.38 Å. Dy3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Dy–O bond distances ranging from 2.28–2.98 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Dy3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one Dy3+, and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Dy3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+, one Dy3+, and two B3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Dy3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and two B3+ atoms.
DOI: 10.17188/1721011
title: Materials Data on Pr(Mg4Al3)4 by Materials Project

description: Pr(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pr, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.02 Å. The Mg–Pr bond length is 3.33 Å. All Mg–Al bond lengths are 3.22 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.18 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.85–3.18 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pr–Al bond lengths are 3.27 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pr, and three equivalent Al atoms. There are one shorter (2.76 Å) and two longer (2.80 Å) Al–Al bond lengths.
DOI: 10.17188/1721012
title: Materials Data on Na4Al6ClO12 by Materials Project

description: Na4Al6O12Cl crystallizes in the cubic I-43m space group. The structure is three-dimensional. Na is bonded to three equivalent O and one Cl atom to form NaClO3 tetrahedra that share corners with three equivalent NaClO3 tetrahedra and corners with six equivalent AlO4 tetrahedra. All Na–O bond lengths are 2.43 Å. The Na–Cl bond length is 2.80 Å. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Al–O bond lengths are 1.76 Å. O is bonded in a distorted trigonal planar geometry to one Na and two equivalent Al atoms. Cl is bonded in a tetrahedral geometry to four equivalent Na atoms.
DOI: 10.17188/1721013
title: Materials Data on Sc3Bi by Materials Project

description: Sc3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Bi atoms to form distorted ScSc8Bi4 cuboctahedra that share corners with four equivalent BiSc12 cuboctahedra, corners with fourteen equivalent ScSc8Bi4 cuboctahedra, edges with six equivalent BiSc12 cuboctahedra, edges with twelve equivalent ScSc8Bi4 cuboctahedra, faces with four equivalent BiSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Bi4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.19–3.30 Å. There are two shorter (3.21 Å) and two longer (3.26 Å) Sc–Bi bond lengths. Bi is bonded to twelve equivalent Sc atoms to form BiSc12 cuboctahedra that share corners with six equivalent BiSc12 cuboctahedra, corners with twelve equivalent ScSc8Bi4 cuboctahedra, edges with eighteen equivalent ScSc8Bi4 cuboctahedra, faces with eight equivalent BiSc12 cuboctahedra, and faces with twelve equivalent ScSc8Bi4 cuboctahedra.
DOI: 10.17188/1721014
title: Materials Data on Zn4P2O13 by Materials Project

description: Zn4P2O13 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six O atoms to form distorted ZnO6 octahedra that share corners with two equivalent ZnO4 tetrahedra and corners with four equivalent PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.25 Å. In the second Zn site, Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.37 Å. In the third Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share a cornercorner with one ZnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Zn–O bond distances ranging from 1.90–2.20 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–46°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one O atom. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a 3-coordinate geometry to two Zn and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two Zn and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Zn and one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the seventh O site, O is bonded in a trigonal planar geometry to three Zn atoms.
DOI: 10.17188/1721015
title: Materials Data on YBiRu2O7 by Materials Project

description: YRu2BiO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with two equivalent YO8 hexagonal bipyramids, edges with four equivalent BiO8 hexagonal bipyramids, and edges with six RuO6 octahedra. There are a spread of Y–O bond distances ranging from 2.19–2.53 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 YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–50°. There are two shorter (2.00 Å) and four longer (2.01 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 YO8 hexagonal bipyramids, and edges with four equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.00 Å) and two longer (2.01 Å) Ru–O bond lengths. Bi3+ is bonded to eight O2- atoms to form BiO8 hexagonal bipyramids that share edges with two equivalent BiO8 hexagonal bipyramids, edges with four equivalent YO8 hexagonal bipyramids, and edges with six RuO6 octahedra. There are two shorter (2.28 Å) and six longer (2.53 Å) Bi–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Y3+, two Ru4+, and one Bi3+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Ru4+ atoms to form distorted OY2Ru2 tetrahedra that share corners with six OY2Ru2 tetrahedra and an edgeedge with one OY2Bi2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ru4+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OY2Bi2 tetrahedra.
DOI: 10.17188/1721016
title: Materials Data on V3(O2F)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1721018
title: Materials Data on LiVF5 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: 10.17188/1721019
title: Materials Data on CsW3Br7 by Materials Project

description: CsW3Br7 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six Br1- atoms. All Cs–Br bond lengths are 3.80 Å. In the second Cs1+ site, Cs1+ is bonded to twelve Br1- atoms to form distorted CsBr12 cuboctahedra that share corners with six WBr5 square pyramids and faces with six WBr5 square pyramids. There are a spread of Cs–Br bond distances ranging from 3.92–4.28 Å. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one CsBr12 cuboctahedra, edges with four WBr5 square pyramids, and a faceface with one CsBr12 cuboctahedra. There are a spread of W–Br bond distances ranging from 2.63–2.69 Å. In the second W2+ site, W2+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one CsBr12 cuboctahedra, edges with four WBr5 square pyramids, and a faceface with one CsBr12 cuboctahedra. There are a spread of W–Br bond distances ranging from 2.62–2.69 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two Cs1+ and one W2+ atom. In the second Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to two Cs1+ and one W2+ atom. In the third Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent W2+ atoms. In the fourth Br1- site, Br1- is bonded in a 6-coordinate geometry to three equivalent W2+ atoms. In the fifth Br1- site, Br1- is bonded in a 4-coordinate geometry to one Cs1+ and three W2+ atoms. In the sixth Br1- site, Br1- is bonded in a 4-coordinate geometry to one Cs1+ and three W2+ atoms.
DOI: 10.17188/1721020
title: Materials Data on FeH4Cl5O by Materials Project

description: FeH2OCl3H2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chlorine molecules, four ferric chloride hydrate molecules, and eight hydrogen molecules.
DOI: 10.17188/1721021
title: Materials Data on KB5O8 by Materials Project

description: KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.84 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.38 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.39 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.38 Å) B–O bond length. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) B–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ atoms.
DOI: 10.17188/1721022
title: Materials Data on Cs3Li2I5 by Materials Project

description: Cs3Li2I5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.81–4.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Cs–I bond distances ranging from 3.90–4.10 Å. In the third Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight I1- atoms. There are a spread of Cs–I bond distances ranging from 3.94–4.38 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four I1- atoms to form corner-sharing LiI4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.87 Å) Li–I bond lengths. In the second Li1+ site, Li1+ is bonded to four I1- atoms to form corner-sharing LiI4 tetrahedra. There are a spread of Li–I bond distances ranging from 2.75–2.88 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to four Cs1+ and two Li1+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to four Cs1+ and one Li1+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom. In the fourth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to four Cs1+ and two equivalent Li1+ atoms. In the fifth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to four Cs1+ and two equivalent Li1+ atoms.
DOI: 10.17188/1721023
title: Materials Data on Ho3Ga15Ru4 by Materials Project

description: Ho3Ru4Ga15 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four Ru and twelve Ga atoms. All Ho–Ru bond lengths are 3.35 Å. There are a spread of Ho–Ga bond distances ranging from 2.97–3.26 Å. In the second Ho site, Ho is bonded to twelve Ga atoms to form distorted face-sharing HoGa12 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 3.00–3.13 Å. In the third Ho site, Ho is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ho–Ga bond distances ranging from 2.99–3.09 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to one Ho and eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.52–2.71 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to one Ho and nine Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.55–2.78 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three Ho, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.91 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two Ho, two equivalent Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.96 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Ho, two Ru, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.84–2.99 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to three Ho, two Ru, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.99 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two Ho, two equivalent Ru, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to one Ho, three Ru, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.90 Å. In the seventh Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Ho, two equivalent Ru, and four Ga atoms. The Ga–Ga bond length is 2.53 Å. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, two equivalent Ru, and seven Ga atoms. The Ga–Ga bond length is 2.67 Å. In the ninth Ga site, Ga is bonded in a 9-coordinate geometry to two Ho, two equivalent Ru, and five Ga atoms. Both Ga–Ga bond lengths are 2.79 Å. In the tenth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ho, two Ru, and six Ga atoms.
DOI: 10.17188/1721024
title: Materials Data on Dy2Ge5Ir3 by Materials Project

description: Dy2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Dy–Ir bond distances ranging from 3.13–3.56 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Dy and six Ge atoms. There are four shorter (2.53 Å) and two longer (2.64 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Dy and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy, three Ir, and two equivalent Ge atoms.