cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1675469
title: Materials Data on TaBr5N2 by Materials Project

description: (Ta2N)2(N2)3(Br)20 crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of six ammonia molecules, twenty hydrobromic acid molecules, and two Ta2N clusters. In each Ta2N cluster, Ta5+ is bonded in a single-bond geometry to one N3- atom. The Ta–N bond length is 1.89 Å. N3- is bonded in a linear geometry to two equivalent Ta5+ atoms.
DOI: 10.17188/1675470
title: Materials Data on PrIn2Ni9 by Materials Project

description: PrNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.02 Å) and eight longer (3.28 Å) Pr–Ni bond lengths. All Pr–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiPr2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiPr2In3Ni7 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.47 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.82 Å. In the second Ni site, Ni is bonded to two equivalent Pr, eight Ni, and two equivalent In atoms to form distorted NiPr2In2Ni8 cuboctahedra that share corners with twenty NiIn4Ni8 cuboctahedra, edges with six NiPr2In3Ni7 cuboctahedra, and faces with nineteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.64 Å. Both Ni–In bond lengths are 2.83 Å. In the third Ni site, Ni is bonded to two equivalent Pr, seven Ni, and three equivalent In atoms to form NiPr2In3Ni7 cuboctahedra that share corners with eighteen NiIn4Ni8 cuboctahedra, edges with nine NiPr2In2Ni8 cuboctahedra, and faces with twenty NiIn4Ni8 cuboctahedra. There are one shorter (2.41 Å) and one longer (2.43 Å) Ni–Ni bond lengths. There are one shorter (2.63 Å) and two longer (2.80 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to two equivalent Pr, twelve Ni, and one In atom. The In–In bond length is 2.91 Å.
DOI: 10.17188/1675473
title: Materials Data on AlMo(WO4)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: 10.17188/1675477
title: Materials Data on W3O8 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: 10.17188/1675478
title: Materials Data on Tl2TeMo2(PO7)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: 10.17188/1675479
title: Materials Data on NdVO3 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: 10.17188/1675480
title: Materials Data on KFeN 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: 10.17188/1675481
title: Materials Data on TaNbTe4 by Materials Project

description: TaNbTe4 is Brookite-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one TaNbTe4 sheet oriented in the (0, 1, 1) direction. there are three inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded in a 3-coordinate geometry to five Te2- atoms. There are a spread of Ta–Te bond distances ranging from 2.64–3.49 Å. In the second Ta3+ site, Ta3+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Ta–Te bond distances ranging from 2.90–3.08 Å. In the third Ta3+ site, Ta3+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Ta–Te bond distances ranging from 2.89–3.08 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 3-coordinate geometry to four Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.64–3.33 Å. In the second Nb5+ site, Nb5+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.65–3.33 Å. In the third Nb5+ site, Nb5+ is bonded in a 3-coordinate geometry to four Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.64–3.33 Å. There are twelve inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ta3+ and one Nb5+ atom. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ta3+ and one Nb5+ atom. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ta3+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ta3+ and one Nb5+ atom. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ta3+ and one Nb5+ atom. In the sixth Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ta3+ and one Nb5+ atom. In the seventh Te2- site, Te2- is bonded in a 3-coordinate geometry to one Ta3+ and two Nb5+ atoms. In the eighth Te2- site, Te2- is bonded in a 3-coordinate geometry to one Ta3+ and two Nb5+ atoms. In the ninth Te2- site, Te2- is bonded in a 2-coordinate geometry to one Nb5+ and one Te2- atom. The Te–Te bond length is 2.54 Å. In the tenth Te2- site, Te2- is bonded in a 2-coordinate geometry to one Nb5+ and one Te2- atom. The Te–Te bond length is 2.54 Å. In the eleventh Te2- site, Te2- is bonded in a 3-coordinate geometry to one Ta3+, one Nb5+, and one Te2- atom. In the twelfth Te2- site, Te2- is bonded in a 2-coordinate geometry to one Ta3+ and one Te2- atom.
DOI: 10.17188/1675482
title: Materials Data on Ti3MnFe2(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: 10.17188/1675484
title: Materials Data on K2CrSO7 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: 10.6084/m9.figshare.13671438.v1
title: Maxilla Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all maxilla module shape data (CSV file).
DOI: 10.6084/m9.figshare.13671438
title: Maxilla Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all maxilla module shape data (CSV file).
DOI: 10.17188/1675485
title: Materials Data on NdGdHg2 by Materials Project

description: GdNdHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Gd–Hg bond lengths are 3.30 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Nd–Hg bond lengths are 3.30 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Gd and four equivalent Nd atoms.
DOI: 10.6084/m9.figshare.13671441
title: Specimen Landmark Data (retrodeformed) from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for retrodeformed whole-skull shape data (CSV file).
DOI: 10.17188/1675486
title: Materials Data on Ce2Mg by Materials Project

description: MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight Ce atoms to form MgCe8Mg4 cuboctahedra that share corners with six equivalent MgCe8Mg4 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with eighteen CeCe6Mg6 cuboctahedra, faces with ten equivalent MgCe8Mg4 cuboctahedra, and faces with ten CeCe6Mg6 cuboctahedra. There are two shorter (3.02 Å) and two longer (3.21 Å) Mg–Mg bond lengths. There are two shorter (3.41 Å) and six longer (3.47 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six equivalent Mg and six Ce atoms to form distorted CeCe6Mg6 cuboctahedra that share corners with six equivalent MgCe8Mg4 cuboctahedra, corners with twelve CeCe6Mg6 cuboctahedra, edges with seven equivalent MgCe8Mg4 cuboctahedra, edges with eleven CeCe6Mg6 cuboctahedra, faces with six equivalent MgCe8Mg4 cuboctahedra, and faces with fourteen CeCe6Mg6 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 2.99–3.53 Å. In the second Ce site, Ce is bonded to two equivalent Mg and ten Ce atoms to form distorted CeCe10Mg2 cuboctahedra that share corners with six equivalent MgCe8Mg4 cuboctahedra, corners with twelve CeCe10Mg2 cuboctahedra, edges with seven CeCe6Mg6 cuboctahedra, edges with eleven equivalent MgCe8Mg4 cuboctahedra, faces with four equivalent MgCe8Mg4 cuboctahedra, and faces with sixteen CeCe6Mg6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.53 Å) Ce–Ce bond lengths.
DOI: 10.6084/m9.figshare.13671441.v1
title: Specimen Landmark Data (retrodeformed) from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for retrodeformed whole-skull shape data (CSV file).
DOI: 10.17188/1675487
title: Materials Data on TlBi3F10 by Materials Project

description: TlBi3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Tl–F bond lengths are 2.88 Å. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.31 Å) and four longer (2.49 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded to one Tl1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FTlBi3 tetrahedra.
DOI: 10.6084/m9.figshare.13671447
title: Frill Landmark Data from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all frill module shape data (CSV file).
DOI: 10.6084/m9.figshare.13671447.v1
title: Frill Landmark Data from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all frill module shape data (CSV file).
DOI: 10.17188/1675488
title: Materials Data on NdUTe6 by Materials Project

description: UNdTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UNdTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.19–3.24 Å. Nd3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Nd–Te bond distances ranging from 3.28–3.36 Å. There are five inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Nd3+ atom. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Nd3+ atoms. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms.
DOI: 10.6084/m9.figshare.13671450
title: Postorbital Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all postorbital module shape data (CSV file).
DOI: 10.6084/m9.figshare.13671450.v1
title: Postorbital Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all postorbital module shape data (CSV file).
DOI: 10.17188/1675489
title: Materials Data on Mg6ZrB by Materials Project

description: Mg6ZrB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to eight Mg and two equivalent Zr atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.23 Å. There are one shorter (3.01 Å) and one longer (3.34 Å) Mg–Zr bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zr atoms to form a mixture of face and corner-sharing MgMg10Zr2 cuboctahedra. There are two shorter (2.96 Å) and four longer (2.97 Å) Mg–Mg bond lengths. Both Mg–Zr bond lengths are 3.17 Å. In the third Mg site, Mg is bonded in a single-bond geometry to six Mg and one B atom. There are one shorter (3.10 Å) and one longer (3.25 Å) Mg–Mg bond lengths. The Mg–B bond length is 2.61 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. Zr is bonded in a distorted bent 120 degrees geometry to six Mg and two equivalent B atoms. Both Zr–B bond lengths are 2.57 Å. B is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Zr atoms.
DOI: 10.6084/m9.figshare.13671453
title: Specimen Landmark Data (raw) from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for unretrodeformed whole-skull shape data (CSV file).
DOI: 10.6084/m9.figshare.13671453.v1
title: Specimen Landmark Data (raw) from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for unretrodeformed whole-skull shape data (CSV file).
DOI: 10.17188/1675490
title: Materials Data on VNi3AsO8 by Materials Project

description: VNi3AsO8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with nine NiO6 octahedra. The corner-sharing octahedra tilt angles range from 51–57°. There are a spread of V–O bond distances ranging from 1.73–1.83 Å. There are three inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with three equivalent VO4 tetrahedra, corners with three equivalent AsO4 tetrahedra, and edges with four NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.02–2.15 Å. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent VO4 tetrahedra, corners with four equivalent AsO4 tetrahedra, and edges with four equivalent NiO6 octahedra. There are two shorter (2.04 Å) and four longer (2.10 Å) Ni–O bond lengths. In the third Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent AsO4 tetrahedra, corners with four equivalent VO4 tetrahedra, and edges with four equivalent NiO6 octahedra. There are two shorter (2.07 Å) and four longer (2.10 Å) Ni–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with nine NiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There is three shorter (1.72 Å) and one longer (1.79 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one V5+ and three Ni2+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Ni2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Ni2+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two Ni2+ atoms.
DOI: 10.6084/m9.figshare.13671444
title: Snout Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all snout module shape data (CSV file).
DOI: 10.6084/m9.figshare.13671444.v1
title: Snout Landmarks from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all snout module shape data (CSV file).
DOI: 10.6084/m9.figshare.13671459
title: Jugal Landmark Data from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all jugal module shape data (CSV file).
DOI: 10.17188/1675491
title: Materials Data on MgSi by Materials Project

description: MgSi crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgSi sheet oriented in the (0, -1, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to two Si atoms. There are one shorter (2.06 Å) and one longer (2.68 Å) Mg–Si bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.80 Å) and one longer (2.85 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.26–2.69 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to three Mg atoms. In the second Si site, Si is bonded in a distorted single-bond geometry to one Mg and two equivalent Si atoms. There are one shorter (2.22 Å) and one longer (2.37 Å) Si–Si bond lengths. In the third Si site, Si is bonded to three Mg and three Si atoms to form distorted edge-sharing SiMg3Si3 octahedra. The Si–Si bond length is 2.63 Å.
DOI: 10.6084/m9.figshare.13671459.v1
title: Jugal Landmark Data from Three-dimensional geometric morphometric analysis of the skull of <i>Protoceratops andrewsi</i> supports a socio-sexual signalling role for the ceratopsian frill

description: Landmark coordinate data for all jugal module shape data (CSV file).
DOI: 10.17188/1675493
title: Materials Data on YBi3Se2ClO8 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: 10.17188/1675494
title: Materials Data on TbMnGa by Materials Project

description: TbMnGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Mn and six equivalent Ga atoms. There are four shorter (2.93 Å) and one longer (3.01 Å) Tb–Mn bond lengths. There are two shorter (3.09 Å) and four longer (3.27 Å) Tb–Ga bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Mn–Ga bond lengths are 2.75 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Ga atoms. All Mn–Ga bond lengths are 2.70 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tb and four Mn atoms.
DOI: 10.17188/1675495
title: Materials Data on Sr(ZnN)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: 10.17188/1675496
title: Materials Data on LiV2CrO6 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: 10.17188/1675497
title: Materials Data on Dy6GaNi2 by Materials Project

description: Dy6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.79 Å) and one longer (3.20 Å) Dy–Ni bond lengths. There are one shorter (3.01 Å) and one longer (3.23 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.70 Å) and two longer (2.88 Å) Dy–Ni bond lengths. The Dy–Ga bond length is 3.35 Å. In the third Dy site, Dy is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.92 Å) and one longer (3.13 Å) Dy–Ni bond lengths. There are one shorter (3.16 Å) and one longer (3.64 Å) Dy–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Dy and one Ni atom. The Ni–Ni bond length is 2.71 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Dy and one Ni atom. The Ni–Ni bond length is 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Dy atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Dy atoms.