cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730543
title: Materials Data on ScCo5P3 by Materials Project

description: ScCo5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded to six P3- atoms to form distorted ScP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with ten CoP4 tetrahedra, and faces with two equivalent ScP6 pentagonal pyramids. There are a spread of Sc–P bond distances ranging from 2.72–2.78 Å. There are five inequivalent Co+1.40+ sites. In the first Co+1.40+ site, Co+1.40+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.57 Å. In the second Co+1.40+ site, Co+1.40+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent ScP6 pentagonal pyramids, corners with thirteen CoP4 tetrahedra, edges with three equivalent ScP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.31 Å) Co–P bond lengths. In the third Co+1.40+ site, Co+1.40+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent ScP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three equivalent ScP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.13–2.31 Å. In the fourth Co+1.40+ site, Co+1.40+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent ScP6 pentagonal pyramids, corners with nine CoP4 tetrahedra, edges with three equivalent ScP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.22–2.29 Å. In the fifth Co+1.40+ site, Co+1.40+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with six equivalent ScP6 pentagonal pyramids, corners with eight CoP4 tetrahedra, an edgeedge with one ScP6 pentagonal pyramid, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.16–2.20 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Sc2+ and seven Co+1.40+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Sc2+ and seven Co+1.40+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Sc2+ and seven Co+1.40+ atoms.
DOI: 10.17188/1730544
title: Materials Data on U(CuAs)2 by Materials Project

description: U(CuAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded to six equivalent As3- atoms to form UAs6 octahedra that share corners with twelve equivalent CuAs4 tetrahedra, edges with six equivalent UAs6 octahedra, and edges with six equivalent CuAs4 tetrahedra. All U–As bond lengths are 2.88 Å. Cu1+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with six equivalent UAs6 octahedra, corners with six equivalent CuAs4 tetrahedra, edges with three equivalent UAs6 octahedra, and edges with three equivalent CuAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. There are three shorter (2.45 Å) and one longer (2.50 Å) Cu–As bond lengths. As3- is bonded to three equivalent U4+ and four equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing AsU3Cu4 pentagonal bipyramids.
DOI: 10.17188/1730545
title: Materials Data on Mg3Si4 by Materials Project

description: Mg3Si4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.87–3.13 Å. In the second Mg site, Mg is bonded to four Si atoms to form distorted corner-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.76–2.87 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.17 Å. In the fourth Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.95 Å. In the fifth Mg site, Mg is bonded in a 1-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–3.14 Å. In the sixth Mg site, Mg is bonded in a 3-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.09 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.61 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Mg and three Si atoms. There are one shorter (2.33 Å) and two longer (2.48 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 1-coordinate geometry to five Mg and three Si atoms. The Si–Si bond length is 2.40 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. In the sixth Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. Both Si–Si bond lengths are 2.48 Å. In the seventh Si site, Si is bonded in a 7-coordinate geometry to four Mg and three Si atoms. The Si–Si bond length is 2.37 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms.
DOI: 10.17188/1730546
title: Materials Data on Re4Ge7 by Materials Project

description: Re4Ge7 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are five inequivalent Re sites. In the first Re site, Re is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.51–3.04 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. All Re–Ge bond lengths are 2.63 Å. In the third Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.54–2.79 Å. In the fourth Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.58–2.70 Å. In the fifth Re site, Re is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Re–Ge bond distances ranging from 2.51–2.85 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Re and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.67–2.85 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Re and five Ge atoms. There are one shorter (2.80 Å) and two longer (2.98 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Re atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to five Re and two Ge atoms.
DOI: 10.17188/1730547
title: Materials Data on Ce4UO10 by Materials Project

description: UCe4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All U–O bond lengths are 2.31 Å. There are two inequivalent Ce+3.50+ sites. In the first Ce+3.50+ site, Ce+3.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.44 Å) Ce–O bond lengths. In the second Ce+3.50+ site, Ce+3.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.38 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U6+ and two equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe2U2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce+3.50+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1730548
title: Materials Data on BaCN2 by Materials Project

description: BaCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent N3- atoms to form edge-sharing BaN6 octahedra. All Ba–N bond lengths are 2.84 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Ba2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NBa3C tetrahedra.
DOI: 10.17188/1730549
title: Materials Data on LiV2O3F 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: 10.17188/1730550
title: Materials Data on Ba2AsSe4O3 by Materials Project

description: Ba2AsSe4O3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ba2AsSe4O3 sheet oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 3-coordinate geometry to two equivalent Se and three O2- atoms. There are one shorter (3.33 Å) and one longer (3.42 Å) Ba–Se bond lengths. There are one shorter (2.59 Å) and two longer (2.84 Å) Ba–O bond lengths. As2+ is bonded in a trigonal non-coplanar geometry to three Se atoms. There are one shorter (2.43 Å) and two longer (2.48 Å) As–Se bond lengths. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one As2+ atom. In the second Se site, Se is bonded in a distorted single-bond geometry to one As2+ atom. In the third Se site, Se is bonded in a single-bond geometry to one O2- atom. The Se–O bond length is 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba2+ and one Se atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one O2- atom. The O–O bond length is 1.35 Å.
DOI: 10.17188/1730551
title: Materials Data on Rb2Hg3(GeS4)2 by Materials Project

description: Rb2Hg3(GeS4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.98 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four S2- atoms to form distorted HgS4 trigonal pyramids that share corners with four equivalent GeS4 tetrahedra and corners with two equivalent HgS4 trigonal pyramids. There are a spread of Hg–S bond distances ranging from 2.48–2.89 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (3.30 Å) Hg–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with four equivalent HgS4 trigonal pyramids. There are a spread of Ge–S bond distances ranging from 2.21–2.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, two Hg2+, and one Ge4+ atom.
DOI: 10.17188/1730553
title: Materials Data on Th2Si3Ni by Materials Project

description: Th2NiSi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th4+ is bonded in a distorted q4 geometry to nine Si4- atoms. There are three shorter (3.09 Å) and six longer (3.15 Å) Th–Si bond lengths. Ni4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.36 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Si4- atoms. All Si–Si bond lengths are 2.36 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Ni4+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+ and three equivalent Si4- atoms.
DOI: 10.17188/1730554
title: Materials Data on Li2MnF4 by Materials Project

description: Li2MnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–65°. There are a spread of Li–F bond distances ranging from 1.88–1.98 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra, corners with two equivalent LiF4 tetrahedra, and an edgeedge with one LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–67°. There are a spread of Li–F bond distances ranging from 1.88–1.98 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with twelve LiF4 tetrahedra and edges with two equivalent MnF6 octahedra. There are a spread of Mn–F bond distances ranging from 2.07–2.20 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Mn2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Mn2+ atom. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 tetrahedra. In the fourth F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 tetrahedra.
DOI: 10.17188/1730555
title: Materials Data on NaLi5Mn2P2(CO7)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: 10.17188/1730556
title: Materials Data on Zn3Fe2(SeO3)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: 10.17188/1730557
title: Materials Data on Li2V3SbO8 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: 10.17188/1730558
title: Materials Data on Ho2MnGe4 by Materials Project

description: Ho2MnGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 3.02–3.13 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 3.10–3.31 Å. Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are two shorter (2.29 Å) and three longer (2.32 Å) Mn–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to six Ho, one Mn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho and two equivalent Mn atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four Ho and two equivalent Mn atoms.
DOI: 10.17188/1730559
title: Materials Data on Pr2IrRh by Materials Project

description: Pr2IrRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms. All Pr–Ir bond lengths are 3.10 Å. All Pr–Rh bond lengths are 3.10 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1730560
title: Materials Data on ScMnSi2 by Materials Project

description: ScMnSi2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Sc–Si bond distances ranging from 2.73–2.88 Å. In the second Sc site, Sc is bonded to seven Si atoms to form a mixture of distorted corner and edge-sharing ScSi7 pentagonal bipyramids. There are a spread of Sc–Si bond distances ranging from 2.70–2.81 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mn–Si bond distances ranging from 2.32–2.48 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Si atoms. There are a spread of Mn–Si bond distances ranging from 2.46–2.48 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc and two equivalent Mn atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to six Sc, two equivalent Mn, and one Si atom. The Si–Si bond length is 2.47 Å. In the third Si site, Si is bonded in a 6-coordinate geometry to two equivalent Sc and four Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the fifth Si site, Si is bonded in a 7-coordinate geometry to three Sc, three Mn, and one Si atom. The Si–Si bond length is 2.40 Å.
DOI: 10.6073/pasta/eb74136a18a09c482b78f6f95dcc02b3
title: Jornada Basin LTER: Wireless meteorological station at NPP G-SUMM site: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data at NPP G-SUMM met station. Collection of soil volumetric water content data at Jornada LTER NPP sites, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are measured every 30 minutes at an automated meteorological station installed at Jornada LTER NPP G-SUMM site. Measurements are made every 30 minutes at 10 cm, 20 cm, and 30 cm soil depths. This is an ONGOING dataset.
DOI: 10.17188/1730561
title: Materials Data on Ba6Na2Ta2V2O17 by Materials Project

description: Na2Ba6Ta2V2O17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with three equivalent TaO6 octahedra, corners with three equivalent VO4 tetrahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There are three shorter (2.29 Å) and three longer (2.42 Å) Na–O bond lengths. There are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are three shorter (2.85 Å) and six longer (3.02 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.86 Å. In the third Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.62–3.05 Å. In the fourth Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, faces with two equivalent NaO6 octahedra, and faces with six equivalent TaO6 octahedra. There are six shorter (3.01 Å) and six longer (3.05 Å) Ba–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three equivalent NaO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and a faceface with one TaO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three shorter (1.90 Å) and three longer (2.15 Å) Ta–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.72 Å) and three longer (1.75 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two equivalent Ta5+ atoms to form a mixture of distorted corner and face-sharing OBa4Ta2 octahedra. The corner-sharing octahedra tilt angles range from 7–60°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, three Ba2+, and one V5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, four Ba2+, and one Ta5+ atom.
DOI: 10.17188/1730562
title: Materials Data on HoAl8Ni3 by Materials Project

description: HoNi3Al8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Ho–Ni bond lengths are 2.90 Å. There are a spread of Ho–Al bond distances ranging from 2.94–3.45 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ho and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.53 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ni and seven Al atoms. Both Ni–Ni bond lengths are 2.97 Å. There are a spread of Ni–Al bond distances ranging from 2.37–2.41 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Ni and eleven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.75–3.05 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to one Ho, one Ni, and eight Al atoms. There are four shorter (2.84 Å) and four longer (2.88 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho, two Ni, and four equivalent Al atoms. All Al–Al bond lengths are 2.71 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Ni, and six Al atoms. There are one shorter (2.60 Å) and one longer (2.89 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to one Ho, five Ni, and six Al atoms. There are one shorter (2.81 Å) and two longer (2.82 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ho, four Ni, and three Al atoms.