cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1714281
title: Materials Data on UO11 by Materials Project

description: UO11 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one UO11 cluster. U is bonded in a 3-coordinate geometry to eight O atoms. There are a spread of U–O bond distances ranging from 1.80–2.88 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a 1-coordinate geometry to one U and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in an L-shaped geometry to one U and one O atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one U and one O atom. The O–O bond length is 1.31 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to one U and one O atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.24 Å) and one longer (1.60 Å) O–O bond length. In the ninth O site, O is bonded in a distorted single-bond geometry to one U and one O atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the eleventh O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1714282
title: Materials Data on LaSm3 by Materials Project

description: Sm3La is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight equivalent Sm and four equivalent La atoms to form SmLa4Sm8 cuboctahedra that share corners with four equivalent LaSm12 cuboctahedra, corners with fourteen equivalent SmLa4Sm8 cuboctahedra, edges with six equivalent LaSm12 cuboctahedra, edges with twelve equivalent SmLa4Sm8 cuboctahedra, faces with four equivalent LaSm12 cuboctahedra, and faces with sixteen SmLa4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.70 Å. There are two shorter (3.67 Å) and two longer (3.68 Å) Sm–La bond lengths. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent La atoms to form SmLa4Sm8 cuboctahedra that share corners with four equivalent LaSm12 cuboctahedra, corners with fourteen SmLa4Sm8 cuboctahedra, edges with six equivalent LaSm12 cuboctahedra, edges with twelve equivalent SmLa4Sm8 cuboctahedra, faces with four equivalent LaSm12 cuboctahedra, and faces with sixteen SmLa4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.70 Å. There are two shorter (3.67 Å) and two longer (3.68 Å) Sm–La bond lengths. La is bonded to twelve Sm atoms to form LaSm12 cuboctahedra that share corners with six equivalent LaSm12 cuboctahedra, corners with twelve equivalent SmLa4Sm8 cuboctahedra, edges with eighteen SmLa4Sm8 cuboctahedra, faces with eight equivalent LaSm12 cuboctahedra, and faces with twelve SmLa4Sm8 cuboctahedra.
DOI: 10.17188/1714283
title: Materials Data on Li3VPCO7 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: 10.17188/1714285
title: Materials Data on HgNCl by Materials Project

description: HgNCl crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to two equivalent N1- and four equivalent Cl1- atoms. Both Hg–N bond lengths are 2.08 Å. All Hg–Cl bond lengths are 3.09 Å. N1- is bonded in a bent 120 degrees geometry to two equivalent Hg2+ and four equivalent Cl1- atoms. There are two shorter (3.05 Å) and two longer (3.14 Å) N–Cl bond lengths. Cl1- is bonded in a 8-coordinate geometry to four equivalent Hg2+ and four equivalent N1- atoms.
DOI: 10.17188/1714286
title: Materials Data on Ho2ReC2 by Materials Project

description: Ho2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Ho–C bond distances ranging from 2.51–2.66 Å. In the second Ho site, Ho is bonded to five C atoms to form a mixture of edge and corner-sharing HoC5 square pyramids. There are a spread of Ho–C bond distances ranging from 2.48–2.56 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.94–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ho and one Re atom to form a mixture of edge and corner-sharing CHo5Re octahedra. The corner-sharing octahedra tilt angles range from 2–38°. In the second C site, C is bonded to four Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–38°.
DOI: 10.17188/1714287
title: Materials Data on KHo(MoO4)2 by Materials Project

description: KHo(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.37 Å. Ho3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.28–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent Ho3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ho3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Ho3+, and one Mo6+ atom.
DOI: 10.17188/1714288
title: Materials Data on TiCu2NiO4 by Materials Project

description: TiNiCu2O4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. All Ti–O bond lengths are 2.04 Å. Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.03 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.80 Å) and one longer (1.88 Å) Cu–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ni2+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OCuNi3 trigonal pyramids. The O–Cu bond length is 1.80 Å. In the second O2- site, O2- is bonded to three equivalent Ti4+ and one Cu1+ atom to form distorted OTi3Cu trigonal pyramids that share corners with ten OCuNi3 trigonal pyramids and edges with three equivalent OTi3Cu trigonal pyramids. The O–Cu bond length is 1.88 Å. In the third O2- site, O2- is bonded to three equivalent Ni2+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OCuNi3 trigonal pyramids. In the fourth O2- site, O2- is bonded to three equivalent Ti4+ and one Cu1+ atom to form distorted OTi3Cu trigonal pyramids that share corners with ten OCuNi3 trigonal pyramids and edges with three equivalent OTi3Cu trigonal pyramids. In the fifth O2- site, O2- is bonded to three equivalent Ni2+ and one Cu1+ atom to form distorted OCuNi3 trigonal pyramids that share corners with ten OTi3Cu trigonal pyramids and edges with three equivalent OCuNi3 trigonal pyramids. All O–Ni bond lengths are 2.03 Å. The O–Cu bond length is 1.80 Å.
DOI: 10.17188/1714290
title: Materials Data on ZnMoO4 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: 10.17188/1714291
title: Materials Data on RbTi3NbO9 by Materials Project

description: RbTi3NbO9 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.32 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.78–2.35 Å. In the second Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.76–2.37 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share a cornercorner with one NbO6 octahedra and corners with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–27°. There are a spread of Ti–O bond distances ranging from 1.91–2.09 Å. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share a cornercorner with one TiO6 octahedra and corners with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are a spread of Nb–O bond distances ranging from 1.89–2.25 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ti4+ atoms to form distorted OTi4 trigonal pyramids that share corners with two equivalent OTi4 trigonal pyramids and edges with two equivalent OTi3Nb trigonal pyramids. In the second O2- site, O2- is bonded to three Ti4+ and one Nb5+ atom to form distorted OTi3Nb trigonal pyramids that share corners with two equivalent OTi3Nb trigonal pyramids and edges with two equivalent OTi4 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Rb1+, one Ti4+, and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Rb1+ and two Ti4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Ti4+, and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+, one Ti4+, and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Rb1+ and two Ti4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Nb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to three Ti4+ atoms.
DOI: 10.17188/1714293
title: Materials Data on Cu3W by Materials Project

description: WCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.56 Å) and six longer (2.96 Å) W–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent W and four equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuCu4W4 tetrahedra. All Cu–Cu bond lengths are 2.56 Å. In the second Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent W and eight equivalent Cu atoms.
DOI: 10.17188/1714294
title: Materials Data on Cs3ScCl6 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: 10.17188/1714295
title: Materials Data on Tb2(Al3Pd)3 by Materials Project

description: Tb2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to six Pd and eleven Al atoms. There are two shorter (3.46 Å) and four longer (3.49 Å) Tb–Pd bond lengths. There are a spread of Tb–Al bond distances ranging from 3.07–3.21 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Tb and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.67 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Tb and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.57–2.66 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Pd atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb, three Pd, and one Al atom. The Al–Al bond length is 2.86 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tb, three Pd, and five Al atoms. There are one shorter (2.80 Å) and two longer (2.86 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Pd, and two equivalent Al atoms.
DOI: 10.17188/1714296
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Keatite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.72 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1714297
title: Materials Data on Li7Mn5O12 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: 10.17188/1714298
title: Materials Data on Ca6Co3RhO12 by Materials Project

description: Ca6RhCo3O12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.61 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent CoO6 pentagonal pyramids. All Rh–O bond lengths are 2.03 Å. There are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form distorted CoO6 pentagonal pyramids that share a faceface with one RhO6 octahedra and a faceface with one CoO6 octahedra. There are three shorter (2.06 Å) and three longer (2.10 Å) Co–O bond lengths. In the second Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form face-sharing CoO6 octahedra. All Co–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+, one Rh4+, and one Co+2.67+ atom to form a mixture of distorted face, edge, and corner-sharing OCa4CoRh octahedra. The corner-sharing octahedra tilt angles range from 0–69°. In the second O2- site, O2- is bonded to four equivalent Ca2+ and two Co+2.67+ atoms to form a mixture of distorted face, edge, and corner-sharing OCa4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–69°.
DOI: 10.17188/1714299
title: Materials Data on CeAsPd by Materials Project

description: CePdAs crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent As atoms. There are a spread of Ce–Pd bond distances ranging from 2.98–3.43 Å. There are a spread of Ce–As bond distances ranging from 3.11–3.29 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms. There are two shorter (2.66 Å) and one longer (2.69 Å) Pd–Pd bond lengths. As is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent As atoms. There are two shorter (2.62 Å) and one longer (2.63 Å) As–As bond lengths.
DOI: 10.17188/1714300
title: Materials Data on UGaRu by Materials Project

description: UGaRu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are four shorter (2.89 Å) and one longer (2.92 Å) U–Ru bond lengths. There are two shorter (3.09 Å) and four longer (3.24 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ru and six Ga atoms. There are a spread of U–Ru bond distances ranging from 2.87–2.90 Å. There are two shorter (3.10 Å) and four longer (3.24 Å) U–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six U and three Ga atoms. All Ru–Ga bond lengths are 2.66 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are two shorter (2.61 Å) and four longer (2.62 Å) Ru–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Ru, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.
DOI: 10.17188/1714301
title: Materials Data on Si2W3 by Materials Project

description: W3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent W+2.67+ sites. In the first W+2.67+ site, W+2.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All W–Si bond lengths are 2.58 Å. In the second W+2.67+ site, W+2.67+ is bonded to six equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing WSi6 pentagonal pyramids. There are two shorter (2.55 Å) and four longer (2.57 Å) W–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to eight W+2.67+ and one Si4- atom. The Si–Si bond length is 2.51 Å.
DOI: 10.17188/1714303
title: Materials Data on ZnSiAs2 by Materials Project

description: ZnSiAs2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Zn2+ is bonded to four As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent ZnAs4 tetrahedra and corners with six equivalent SiAs4 tetrahedra. There are three shorter (2.40 Å) and one longer (2.56 Å) Zn–As bond lengths. Si4+ is bonded to four As3- atoms to form SiAs4 tetrahedra that share corners with six equivalent ZnAs4 tetrahedra and corners with six equivalent SiAs4 tetrahedra. There are one shorter (2.31 Å) and three longer (2.51 Å) Si–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Zn2+ and one Si4+ atom to form corner-sharing AsZn3Si tetrahedra. In the second As3- site, As3- is bonded to one Zn2+ and three equivalent Si4+ atoms to form corner-sharing AsZnSi3 tetrahedra.
DOI: 10.17188/1714304
title: Materials Data on Li3Fe2(PO4)3 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: 10.17188/1714305
title: Materials Data on Ba3Zn2B3O9F by Materials Project

description: Ba3Zn2B3O9F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to five O2- and two equivalent F1- atoms. There are a spread of Ba–O bond distances ranging from 2.78–2.86 Å. There are one shorter (2.62 Å) and one longer (2.69 Å) Ba–F bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Ba–O bond distances ranging from 2.75–3.10 Å. The Ba–F bond length is 2.79 Å. Zn2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.94–1.99 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 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 1.38–1.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, one Zn2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Zn2+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Zn2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, one Zn2+, and one B3+ atom. F1- is bonded to four Ba2+ atoms to form distorted corner-sharing FBa4 tetrahedra.
DOI: 10.17188/1714306
title: Materials Data on Dy2AlGe3 by Materials Project

description: AlDy2Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Dy–Al bond lengths are 3.33 Å. There are a spread of Dy–Ge bond distances ranging from 2.98–3.34 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.96–3.07 Å. Al is bonded to two equivalent Dy and four Ge atoms to form distorted AlDy2Ge4 tetrahedra that share corners with two equivalent GeDy4Al3 pentagonal bipyramids and edges with four equivalent AlDy2Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.56–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Dy and three equivalent Al atoms to form distorted GeDy4Al3 pentagonal bipyramids that share corners with two equivalent AlDy2Ge4 tetrahedra and edges with six equivalent GeDy4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Dy and two equivalent Ge atoms. There are one shorter (2.58 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Al, and two equivalent Ge atoms.