cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1724766
title: Materials Data on U3O10 by Materials Project

description: U3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.88–2.66 Å. In the second U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.84–2.59 Å. In the third U site, U is bonded in a distorted octahedral geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.92–2.25 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two U atoms. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two U atoms. In the third O site, O is bonded in a distorted single-bond geometry to two U atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three U atoms. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a 2-coordinate geometry to three U atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent U atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two U atoms. In the ninth O site, O is bonded in a single-bond geometry to one U atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to two U atoms.
DOI: 10.17188/1724767
title: Materials Data on Th(P3Ru)4 by Materials Project

description: Th(RuP3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent P1- atoms to form ThP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Th–P bond lengths are 3.11 Å. Ru2+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent ThP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.36 Å. P1- is bonded in a 5-coordinate geometry to one Th4+, two equivalent Ru2+, and two equivalent P1- atoms. There are one shorter (2.33 Å) and one longer (2.34 Å) P–P bond lengths.
DOI: 10.17188/1724768
title: Materials Data on MnSe2O9 by Materials Project

description: (Mn(SeO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Mn(SeO4)2 sheets oriented in the (0, 0, 1) direction. In each Mn(SeO4)2 sheet, Mn is bonded to six O atoms to form MnO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Se–O bond distances ranging from 1.62–1.72 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Se–O bond distances ranging from 1.63–1.71 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mn and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mn and one Se atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mn and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one Se atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one Se atom.
DOI: 10.17188/1724769
title: Materials Data on LiSc(WO4)2 by Materials Project

description: LiSc(WO4)2 is zeta iron carbide-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are four shorter (2.19 Å) and two longer (2.25 Å) Li–O bond lengths. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of Sc–O bond distances ranging from 2.10–2.16 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent ScO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–55°. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sc3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc3+ and two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sc3+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent W6+ atoms.
DOI: 10.17188/1724770
title: Materials Data on Th3U3P8 by Materials Project

description: U3Th3P8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded to eight P3- atoms to form distorted UP8 hexagonal bipyramids that share corners with four equivalent UP8 hexagonal bipyramids, corners with four equivalent ThP8 hexagonal bipyramids, edges with four equivalent ThP8 hexagonal bipyramids, faces with four equivalent UP8 hexagonal bipyramids, and faces with four equivalent ThP8 hexagonal bipyramids. There are a spread of U–P bond distances ranging from 2.82–2.94 Å. In the second U4+ site, U4+ is bonded to eight P3- atoms to form distorted UP8 hexagonal bipyramids that share corners with two equivalent UP8 hexagonal bipyramids, corners with six ThP8 hexagonal bipyramids, edges with four equivalent UP8 hexagonal bipyramids, faces with two equivalent UP8 hexagonal bipyramids, and faces with six ThP8 hexagonal bipyramids. There are a spread of U–P bond distances ranging from 2.83–2.97 Å. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded to eight P3- atoms to form distorted ThP8 hexagonal bipyramids that share corners with two equivalent ThP8 hexagonal bipyramids, corners with six UP8 hexagonal bipyramids, edges with four equivalent ThP8 hexagonal bipyramids, faces with two equivalent ThP8 hexagonal bipyramids, and faces with six UP8 hexagonal bipyramids. There are a spread of Th–P bond distances ranging from 2.90–3.02 Å. In the second Th4+ site, Th4+ is bonded to eight P3- atoms to form distorted ThP8 hexagonal bipyramids that share corners with four equivalent UP8 hexagonal bipyramids, corners with four equivalent ThP8 hexagonal bipyramids, edges with four equivalent UP8 hexagonal bipyramids, faces with four equivalent UP8 hexagonal bipyramids, and faces with four equivalent ThP8 hexagonal bipyramids. There are a spread of Th–P bond distances ranging from 2.91–3.02 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to three U4+ and three Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing PTh3U3 octahedra. The corner-sharing octahedra tilt angles range from 13–53°. In the second P3- site, P3- is bonded to three U4+ and three Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing PTh3U3 octahedra. The corner-sharing octahedra tilt angles range from 14–53°. In the third P3- site, P3- is bonded to three U4+ and three Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing PTh3U3 octahedra. The corner-sharing octahedra tilt angles range from 13–54°. In the fourth P3- site, P3- is bonded to three U4+ and three Th4+ atoms to form a mixture of distorted face, edge, and corner-sharing PTh3U3 octahedra. The corner-sharing octahedra tilt angles range from 13–54°.
DOI: 10.17188/1724771
title: Materials Data on Na9Sn4 by Materials Project

description: Na9Sn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Sn atoms. Both Na–Na bond lengths are 3.32 Å. There are four shorter (3.43 Å) and two longer (3.51 Å) Na–Sn bond lengths. In the second Na site, Na is bonded to three equivalent Na and four Sn atoms to form distorted edge-sharing NaNa3Sn4 tetrahedra. There are one shorter (3.39 Å) and two longer (3.44 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.24–3.38 Å. In the third Na site, Na is bonded in a 4-coordinate geometry to three equivalent Na and four Sn atoms. There are two shorter (3.29 Å) and one longer (3.32 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.26–3.52 Å. In the fourth Na site, Na is bonded in a 11-coordinate geometry to eight Na and three equivalent Sn atoms. The Na–Na bond length is 3.36 Å. There are one shorter (3.61 Å) and two longer (3.70 Å) Na–Sn bond lengths. In the fifth Na site, Na is bonded in a distorted trigonal non-coplanar geometry to one Na and three equivalent Sn atoms. There are one shorter (3.24 Å) and two longer (3.26 Å) Na–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to ten Na and one Sn atom. The Sn–Sn bond length is 2.84 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to seven Na and one Sn atom. The Sn–Sn bond length is 2.97 Å.
DOI: 10.17188/1724772
title: Materials Data on ZrAlCo by Materials Project

description: ZrAlCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to three equivalent Zr, five Co, and seven Al atoms. There are one shorter (3.13 Å) and two longer (3.14 Å) Zr–Zr bond lengths. There are a spread of Zr–Co bond distances ranging from 2.76–3.13 Å. There are a spread of Zr–Al bond distances ranging from 3.00–3.12 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to four Zr, seven Co, and five Al atoms. The Zr–Zr bond length is 2.82 Å. There are a spread of Zr–Co bond distances ranging from 2.92–3.04 Å. There are a spread of Zr–Al bond distances ranging from 2.92–3.09 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Zr and six Al atoms to form distorted CoZr6Al6 cuboctahedra that share corners with four equivalent AlZr6Al2Co4 cuboctahedra, corners with six CoZr6Al6 cuboctahedra, edges with six CoZr6Al6 cuboctahedra, and faces with fourteen AlZr6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.53–2.63 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Zr, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.49–2.73 Å. Both Co–Al bond lengths are 2.46 Å. In the third Co site, Co is bonded to six Zr, four equivalent Co, and two equivalent Al atoms to form distorted CoZr6Al2Co4 cuboctahedra that share corners with six CoZr6Al6 cuboctahedra, corners with twelve AlZr6Al2Co4 cuboctahedra, edges with six CoZr6Al6 cuboctahedra, and faces with ten AlZr6Al2Co4 cuboctahedra. Both Co–Al bond lengths are 2.48 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Zr, four Co, and two equivalent Al atoms to form distorted AlZr6Al2Co4 cuboctahedra that share corners with four CoZr6Al6 cuboctahedra, corners with four equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent AlZr6Al2Co4 cuboctahedra, faces with six CoZr6Al6 cuboctahedra, and faces with eight AlZr6Al2Co4 cuboctahedra. Both Al–Al bond lengths are 2.68 Å. In the second Al site, Al is bonded to six Zr, two equivalent Co, and four Al atoms to form distorted AlZr6Al4Co2 cuboctahedra that share corners with four equivalent CoZr6Al2Co4 cuboctahedra, corners with eight AlZr6Al2Co4 cuboctahedra, edges with two equivalent AlZr6Al4Co2 cuboctahedra, faces with six CoZr6Al6 cuboctahedra, and faces with ten AlZr6Al2Co4 cuboctahedra. There are one shorter (2.56 Å) and one longer (2.66 Å) Al–Al bond lengths.
DOI: 10.17188/1724774
title: Materials Data on W4C3O by Materials Project

description: W4C3O is Tungsten Carbide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent W+3.50+ sites. In the first W+3.50+ site, W+3.50+ is bonded to three equivalent C4- and three equivalent O2- atoms to form a mixture of distorted edge, face, and corner-sharing WC3O3 pentagonal pyramids. All W–C bond lengths are 2.19 Å. All W–O bond lengths are 2.38 Å. In the second W+3.50+ site, W+3.50+ is bonded to six C4- atoms to form distorted WC6 pentagonal pyramids that share corners with twelve WC3O3 pentagonal pyramids, edges with six equivalent WC6 pentagonal pyramids, and faces with two WC3O3 pentagonal pyramids. There are three shorter (2.23 Å) and three longer (2.25 Å) W–C bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six W+3.50+ atoms to form a mixture of distorted edge, face, and corner-sharing CW6 pentagonal pyramids. In the second C4- site, C4- is bonded to six equivalent W+3.50+ atoms to form a mixture of distorted edge, face, and corner-sharing CW6 pentagonal pyramids. O2- is bonded in a 6-coordinate geometry to six equivalent W+3.50+ atoms.
DOI: 10.17188/1724776
title: Materials Data on CrOF4 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: 10.17188/1724778
title: Materials Data on LiMnPO4 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: 10.17188/1724780
title: Materials Data on FeHO2 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: 10.17188/1724781
title: Materials Data on NbInNi2 by Materials Project

description: NbNi2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbNi2In ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Ni atoms. Both Nb–Ni bond lengths are 2.15 Å. Ni is bonded in a linear geometry to one Nb and one In atom. The Ni–In bond length is 2.46 Å. In is bonded in a linear geometry to two equivalent Ni atoms.
DOI: 10.17188/1724782
title: Materials Data on Fe(SbO2)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: 10.17188/1724783
title: Materials Data on Nd4Si5 by Materials Project

description: Nd4Si5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.09–3.31 Å. In the second Nd3+ site, Nd3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.11–3.31 Å. In the third Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.02–3.21 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.17 Å. There are five inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to six Nd3+ and three Si+2.40- atoms. The Si–Si bond length is 2.36 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six Nd3+ and two equivalent Si+2.40- atoms. In the fifth Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to six Nd3+ and one Si+2.40- atom.
DOI: 10.17188/1724784
title: Materials Data on Tm2Ni2Sn by Materials Project

description: Tm2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.80 Å) and four longer (2.85 Å) Tm–Ni bond lengths. All Tm–Sn bond lengths are 3.25 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.49 Å. Both Ni–Sn bond lengths are 2.89 Å. Sn is bonded to eight equivalent Tm and four equivalent Ni atoms to form a mixture of corner and face-sharing SnTm8Ni4 cuboctahedra.
DOI: 10.17188/1724786
title: Materials Data on V2Cu(PO7)2 by Materials Project

description: V2Cu(PO7)2 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one V2Cu(PO7)2 sheet oriented in the (1, 0, 0) direction. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.35 Å. In the second V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–2.23 Å. Cu is bonded in a distorted trigonal planar geometry to three O atoms. There is two shorter (1.74 Å) and one longer (1.75 Å) Cu–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. All P–O bond lengths are 1.55 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one V and one Cu atom. In the second O site, O is bonded in a single-bond geometry to one Cu atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one V and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a single-bond geometry to one V atom. In the ninth O site, O is bonded in a single-bond geometry to one V atom.
DOI: 10.17188/1724787
title: Materials Data on Zr4Re2N by Materials Project

description: Zr4Re2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Re atoms. All Zr–Re bond lengths are 2.71 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to four equivalent Re and two equivalent N atoms. There are two shorter (2.97 Å) and two longer (3.25 Å) Zr–Re bond lengths. Both Zr–N bond lengths are 2.34 Å. Re is bonded in a 12-coordinate geometry to nine Zr and three equivalent Re atoms. All Re–Re bond lengths are 2.94 Å. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 38°.
DOI: 10.17188/1724788
title: Materials Data on LiCoPO4 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: 10.17188/1724789
title: Materials Data on La3Al by Materials Project

description: AlLa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight equivalent La and four equivalent Al atoms. There are a spread of La–La bond distances ranging from 3.32–3.95 Å. There are two shorter (3.34 Å) and two longer (3.64 Å) La–Al bond lengths. Al is bonded to twelve equivalent La atoms to form a mixture of face and corner-sharing AlLa12 cuboctahedra.
DOI: 10.17188/1724791
title: Materials Data on Ca2YNbO6 by Materials Project

description: Ca2YNbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.94 Å. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are two shorter (2.26 Å) and four longer (2.27 Å) Y–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are two shorter (2.02 Å) and four longer (2.04 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+, one Y3+, and one Nb5+ atom to form distorted corner-sharing OCa2YNb tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Y3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Y3+, and one Nb5+ atom.
DOI: 10.17188/1724792
title: Materials Data on Ho3Al2 by Materials Project

description: Al2Ho3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Ho–Al bond lengths. In the second Ho site, Ho is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Ho–Al bond lengths are 3.26 Å. In the third Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.06 Å) and four longer (3.17 Å) Ho–Al bond lengths. Al is bonded in a 9-coordinate geometry to eight Ho and one Al atom. The Al–Al bond length is 2.78 Å.