cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753747
title: Materials Data on YAlCu by Materials Project

description: AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.90 Å) and four longer (2.93 Å) Y–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Y–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.85 Å.
DOI: 10.17188/1753748
title: Materials Data on Tm3(SiNi3)2 by Materials Project

description: Tm3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.79 Å) and four longer (2.91 Å) Tm–Ni bond lengths. All Tm–Si bond lengths are 3.09 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.51 Å. Both Ni–Si bond lengths are 2.39 Å. Si is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of corner and face-sharing SiTm6Ni6 cuboctahedra.
DOI: 10.17188/1753749
title: Materials Data on Ho2CuAs3 by Materials Project

description: (HoAs)2CuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of two arsanylidyneholmium molecules, one arsenic molecule, and one copper molecule.
DOI: 10.17188/1753750
title: Materials Data on NdFe6Bi(BO3)8 by Materials Project

description: NdFe6Bi(BO3)8 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Nd3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.41 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.95–2.00 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.07 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Fe3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Fe3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one B3+, and one Bi3+ atom.
DOI: 10.17188/1753751
title: Materials Data on CuGeN2 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: 10.17188/1753752
title: Materials Data on Cs2RbDyCl6 by Materials Project

description: Cs2RbDyCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent DyCl6 octahedra. All Cs–Cl bond lengths are 4.10 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent DyCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.14 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.64 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Dy3+ atom.
DOI: 10.17188/1753753
title: Materials Data on CoH20C4SO10 by Materials Project

description: CoC4H20SO10 is beta Polonium structured and crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six CoC4H20SO10 clusters. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four CH3O tetrahedra. There are four shorter (2.07 Å) and two longer (2.09 Å) Co–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.43 Å. In the second C site, C is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the tenth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+, one C, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one C, and one H1+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one H1+ and one S2- atom.
DOI: 10.17188/1753754
title: Materials Data on TbSiPd by Materials Project

description: TbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.96–3.12 Å. There are a spread of Tb–Si bond distances ranging from 3.09–3.24 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 3.13–3.22 Å. There are a spread of Tb–Si bond distances ranging from 2.97–3.11 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.92–3.12 Å. There are a spread of Tb–Si bond distances ranging from 3.05–3.23 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Tb, one Pd, and three Si atoms. The Pd–Pd bond length is 3.04 Å. There are one shorter (2.51 Å) and two longer (2.52 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Tb, one Pd, and three equivalent Si atoms. There are two shorter (2.52 Å) and one longer (2.58 Å) Pd–Si bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Tb and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.54–2.84 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Tb and four Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Tb, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.62 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to six Tb, three Pd, and one Si atom.
DOI: 10.17188/1753755
title: Materials Data on Y2ZnOs by Materials Project

description: Y2OsZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2OsZn ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Os and one Zn atom. The Y–Os bond length is 2.39 Å. The Y–Zn bond length is 3.29 Å. Os is bonded in a linear geometry to two equivalent Y atoms. Zn is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1753756
title: Materials Data on DyAgSe2 by Materials Project

description: DyAgSe2 crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Dy3+ is bonded to six Se2- atoms to form DySe6 octahedra that share corners with four equivalent DySe6 octahedra, corners with three equivalent AgSe5 trigonal bipyramids, edges with four equivalent DySe6 octahedra, and edges with six equivalent AgSe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 9–10°. There are a spread of Dy–Se bond distances ranging from 2.85–2.90 Å. Ag1+ is bonded to five Se2- atoms to form AgSe5 trigonal bipyramids that share corners with three equivalent DySe6 octahedra, corners with eight equivalent AgSe5 trigonal bipyramids, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedra tilt angles range from 0–75°. There are three shorter (2.85 Å) and two longer (2.93 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Dy3+ and two equivalent Ag1+ atoms to form distorted SeDy3Ag2 trigonal bipyramids that share corners with three equivalent SeDy3Ag3 octahedra, corners with eight equivalent SeDy3Ag2 trigonal bipyramids, and edges with six equivalent SeDy3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–75°. In the second Se2- site, Se2- is bonded to three equivalent Dy3+ and three equivalent Ag1+ atoms to form SeDy3Ag3 octahedra that share corners with four equivalent SeDy3Ag3 octahedra, corners with three equivalent SeDy3Ag2 trigonal bipyramids, edges with four equivalent SeDy3Ag3 octahedra, and edges with six equivalent SeDy3Ag2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 9–11°.
DOI: 10.17188/1753757
title: Materials Data on LiPdN 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: 10.17188/1753758
title: Materials Data on CsCuN 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: 10.17188/1753759
title: Materials Data on Nb4VSe8 by Materials Project

description: Nb4VSe8 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to six equivalent Se2- atoms to form distorted NbSe6 pentagonal pyramids that share edges with six equivalent NbSe6 pentagonal pyramids and faces with two equivalent VSe6 octahedra. All Nb–Se bond lengths are 2.62 Å. In the second Nb+3.50+ site, Nb+3.50+ is bonded to six Se2- atoms to form distorted NbSe6 pentagonal pyramids that share corners with four equivalent VSe6 octahedra and edges with six NbSe6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.58 Å) and four longer (2.65 Å) Nb–Se bond lengths. V2+ is bonded to six equivalent Se2- atoms to form VSe6 octahedra that share corners with twelve equivalent NbSe6 pentagonal pyramids and faces with two equivalent NbSe6 pentagonal pyramids. All V–Se bond lengths are 2.55 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Nb+3.50+ and one V2+ atom.
DOI: 10.17188/1753760
title: Materials Data on Rb2NaCeBr6 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: 10.17188/1753762
title: Materials Data on Ba2H14Cl4O15 by Materials Project

description: Ba2H10O13Cl4(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one Ba2H10O13Cl4 framework. In the Ba2H10O13Cl4 framework, Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.80–3.15 Å. There are five inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the fifth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Ba and two H atoms. In the second O site, O is bonded in a water-like geometry to one Ba and two H atoms. In the third O site, O is bonded in a water-like geometry to two equivalent H atoms. In the fourth O site, O is bonded in a trigonal planar geometry to two equivalent Ba and one Cl atom. The O–Cl bond length is 1.58 Å. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent Ba and one Cl atom. The O–Cl bond length is 1.59 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one Cl atom. The O–Cl bond length is 1.58 Å. In the seventh O site, O is bonded in a 2-coordinate geometry to one Ba, one H, and one Cl atom. The O–Cl bond length is 1.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two O atoms.
DOI: 10.17188/1753764
title: Materials Data on Li3Co2O5 by Materials Project

description: Li3Co2O5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six CoO6 octahedra, edges with four CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are a spread of Li–O bond distances ranging from 2.09–2.23 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent CoO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two shorter (2.04 Å) and four longer (2.13 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four CoO6 octahedra, edges with six LiO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are a spread of Li–O bond distances ranging from 2.02–2.21 Å. In the fourth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are four shorter (2.06 Å) and two longer (2.09 Å) Li–O bond lengths. There are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with four CoO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There is four shorter (1.89 Å) and two longer (1.93 Å) Co–O bond length. In the second Co+3.50+ site, Co+3.50+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with five CoO6 octahedra, and edges with seven LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–10°. There are a spread of Co–O bond distances ranging from 1.94–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two Co+3.50+ atoms to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded to four Li1+ and two equivalent Co+3.50+ atoms to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third O2- site, O2- is bonded to three Li1+ and three Co+3.50+ atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 1–8°.
DOI: 10.17188/1753765
title: Materials Data on Ba2ErGaSe5 by Materials Project

description: Ba2ErGaSe5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.27–3.75 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.29–3.66 Å. Er3+ is bonded to six Se2- atoms to form ErSe6 octahedra that share edges with two equivalent ErSe6 octahedra and edges with two equivalent GaSe4 tetrahedra. There are a spread of Er–Se bond distances ranging from 2.81–3.04 Å. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share edges with two equivalent ErSe6 octahedra. There are a spread of Ga–Se bond distances ranging from 2.39–2.51 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Ba2+, one Er3+, and one Ga3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Ba2+, one Er3+, and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three Ba2+, two equivalent Er3+, and one Ga3+ atom. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Ba2+ and two equivalent Er3+ atoms. In the fifth Se2- site, Se2- is bonded to four Ba2+ and one Ga3+ atom to form distorted edge-sharing SeBa4Ga square pyramids.
DOI: 10.17188/1753766
title: Materials Data on Sc3Nb by Materials Project

description: Sc3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent Nb atoms to form ScSc8Nb4 cuboctahedra that share corners with twelve equivalent ScSc8Nb4 cuboctahedra, edges with eight equivalent NbSc12 cuboctahedra, edges with sixteen ScSc8Nb4 cuboctahedra, faces with four equivalent NbSc12 cuboctahedra, and faces with fourteen ScSc8Nb4 cuboctahedra. All Sc–Sc bond lengths are 3.15 Å. All Sc–Nb bond lengths are 3.15 Å. In the second Sc site, Sc is bonded to eight equivalent Sc and four equivalent Nb atoms to form ScSc8Nb4 cuboctahedra that share corners with four equivalent ScSc8Nb4 cuboctahedra, corners with eight equivalent NbSc12 cuboctahedra, edges with twenty-four ScSc8Nb4 cuboctahedra, faces with six equivalent NbSc12 cuboctahedra, and faces with twelve ScSc8Nb4 cuboctahedra. All Sc–Nb bond lengths are 3.15 Å. Nb is bonded to twelve Sc atoms to form NbSc12 cuboctahedra that share corners with four equivalent NbSc12 cuboctahedra, corners with eight equivalent ScSc8Nb4 cuboctahedra, edges with eight equivalent NbSc12 cuboctahedra, edges with sixteen equivalent ScSc8Nb4 cuboctahedra, faces with four equivalent NbSc12 cuboctahedra, and faces with fourteen ScSc8Nb4 cuboctahedra.
DOI: 10.17188/1753767
title: Materials Data on Fe7O3F13 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: 10.17188/1753769
title: Materials Data on Er3Mn3Ga2Ge by Materials Project

description: Er3Mn3GeGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Mn, four equivalent Ga, and one Ge atom. There are two shorter (3.22 Å) and four longer (3.25 Å) Er–Mn bond lengths. All Er–Ga bond lengths are 2.95 Å. The Er–Ge bond length is 2.93 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Mn, two equivalent Ga, and two equivalent Ge atoms. Both Mn–Mn bond lengths are 2.87 Å. Both Mn–Ga bond lengths are 2.79 Å. Both Mn–Ge bond lengths are 2.62 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms. Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Mn atoms.