cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187723
title: Materials Data on HoCd2 by Materials Project

description: HoCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to two equivalent Ho and twelve equivalent Cd atoms to form a mixture of distorted edge, corner, and face-sharing HoHo2Cd12 cuboctahedra. Both Ho–Ho bond lengths are 3.44 Å. All Ho–Cd bond lengths are 3.34 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Ho and five equivalent Cd atoms. There are three shorter (2.87 Å) and two longer (3.44 Å) Cd–Cd bond lengths.
DOI: 10.17188/1187724
title: Materials Data on HoCd3 by Materials Project

description: HoCd3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Ho–Cd bond distances ranging from 3.20–3.63 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Ho and eight equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.02–3.34 Å. In the second Cd site, Cd is bonded in a 11-coordinate geometry to four equivalent Ho and seven Cd atoms. There are one shorter (3.09 Å) and two longer (3.21 Å) Cd–Cd bond lengths.
DOI: 10.17188/1187725
title: Materials Data on Li2CdPb by Materials Project

description: Li2CdPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Pb atoms to form distorted corner-sharing LiPb4 tetrahedra. All Li–Pb bond lengths are 3.03 Å. In the second Li site, Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Cd–Pb bond lengths are 3.03 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms.
DOI: 10.17188/1187726
title: Materials Data on Li2CdPb by Materials Project

description: Li2CdPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Pb atoms. All Li–Cd bond lengths are 2.98 Å. All Li–Pb bond lengths are 2.98 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Li atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1187727
title: Materials Data on LuCd3 by Materials Project

description: LuCd3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to twelve Cd atoms. There are a spread of Lu–Cd bond distances ranging from 3.17–3.65 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Lu and eight equivalent Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.00–3.33 Å. In the second Cd site, Cd is bonded in a 11-coordinate geometry to four equivalent Lu and seven Cd atoms. There are one shorter (3.11 Å) and two longer (3.19 Å) Cd–Cd bond lengths.
DOI: 10.17188/1187728
title: Materials Data on MgCd by Materials Project

description: MgCd is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to eight equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing MgCd8 cuboctahedra. There are a spread of Mg–Cd bond distances ranging from 3.06–3.13 Å. Cd is bonded to eight equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing CdMg8 cuboctahedra.
DOI: 10.6084/m9.figshare.1434640.v13
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by Scientific Data (Springer Nature) as being suitable for hosting data associated with peer-reviewed articles. Please see the repository list on Scientific Data's website for the most up to date list.
DOI: 10.17188/1187729
title: Materials Data on NbCd3 by Materials Project

description: NbCd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Cd atoms to form NbCd12 cuboctahedra that share corners with twelve equivalent NbCd12 cuboctahedra, edges with twenty-four equivalent CdNb4Cd8 cuboctahedra, faces with six equivalent NbCd12 cuboctahedra, and faces with twelve equivalent CdNb4Cd8 cuboctahedra. All Nb–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Nb and eight equivalent Cd atoms to form CdNb4Cd8 cuboctahedra that share corners with twelve equivalent CdNb4Cd8 cuboctahedra, edges with eight equivalent NbCd12 cuboctahedra, edges with sixteen equivalent CdNb4Cd8 cuboctahedra, faces with four equivalent NbCd12 cuboctahedra, and faces with fourteen equivalent CdNb4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å.
DOI: 10.17188/1187730
title: Materials Data on CdNi by Materials Project

description: NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.46 Å. There are three shorter (2.64 Å) and three longer (3.14 Å) Ni–Cd bond lengths. In the second Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Cd atoms. All Ni–Cd bond lengths are 2.53 Å. Cd is bonded in a 4-coordinate geometry to six Ni atoms.
DOI: 10.17188/1187731
title: Materials Data on TmCd2 by Materials Project

description: TmCd2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to two equivalent Tm and twelve equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing TmTm2Cd12 cuboctahedra. Both Tm–Tm bond lengths are 3.41 Å. All Tm–Cd bond lengths are 3.33 Å. Cd is bonded in a 11-coordinate geometry to six equivalent Tm and five equivalent Cd atoms. There are three shorter (2.86 Å) and two longer (3.41 Å) Cd–Cd bond lengths.
DOI: 10.17188/1187732
title: Materials Data on V3Cd by Materials Project

description: V3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to eight equivalent V and four equivalent Cd atoms to form VV8Cd4 cuboctahedra that share corners with twelve equivalent VV8Cd4 cuboctahedra, edges with eight equivalent CdV12 cuboctahedra, edges with sixteen equivalent VV8Cd4 cuboctahedra, faces with four equivalent CdV12 cuboctahedra, and faces with fourteen equivalent VV8Cd4 cuboctahedra. All V–V bond lengths are 2.78 Å. All V–Cd bond lengths are 2.78 Å. Cd is bonded to twelve equivalent V atoms to form CdV12 cuboctahedra that share corners with twelve equivalent CdV12 cuboctahedra, edges with twenty-four equivalent VV8Cd4 cuboctahedra, faces with six equivalent CdV12 cuboctahedra, and faces with twelve equivalent VV8Cd4 cuboctahedra.
DOI: 10.17188/1187733
title: Materials Data on ZrCd3 by Materials Project

description: Cd3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Cd atoms to form ZrCd12 cuboctahedra that share corners with twelve equivalent ZrCd12 cuboctahedra, edges with twenty-four equivalent CdZr4Cd8 cuboctahedra, faces with six equivalent ZrCd12 cuboctahedra, and faces with twelve equivalent CdZr4Cd8 cuboctahedra. All Zr–Cd bond lengths are 3.13 Å. Cd is bonded to four equivalent Zr and eight equivalent Cd atoms to form CdZr4Cd8 cuboctahedra that share corners with twelve equivalent CdZr4Cd8 cuboctahedra, edges with eight equivalent ZrCd12 cuboctahedra, edges with sixteen equivalent CdZr4Cd8 cuboctahedra, faces with four equivalent ZrCd12 cuboctahedra, and faces with fourteen equivalent CdZr4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.
DOI: 10.6084/m9.figshare.1434640.v14
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by Scientific Data (Springer Nature) as being suitable for hosting data associated with peer-reviewed articles. Please see the repository list on Scientific Data's website for the most up to date list.
DOI: 10.17188/1187734
title: Materials Data on CeFe5 by Materials Project

description: CeFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.89 Å) and twelve longer (3.22 Å) Ce–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Ce and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeCe4Fe8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Fe atoms.
DOI: 10.17188/1187735
title: Materials Data on CePt3 by Materials Project

description: CePt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pt atoms to form a mixture of face and corner-sharing CePt12 cuboctahedra. All Ce–Pt bond lengths are 2.95 Å. Pt is bonded in a distorted square co-planar geometry to four equivalent Ce atoms.
DOI: 10.17188/1187736
title: Materials Data on CdO by Materials Project

description: CdO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.39 Å. O2- is bonded to six equivalent Cd2+ atoms to form a mixture of corner and edge-sharing OCd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187737
title: Materials Data on Y3TaO7 by Materials Project

description: Y3TaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one YO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent YO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 38–50°. There are a spread of Y–O bond distances ranging from 2.23–2.49 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.41 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent YO7 pentagonal bipyramids, and edges with four equivalent YO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the fourth O2- site, O2- is bonded to three Y3+ and one Ta5+ atom to form a mixture of distorted corner and edge-sharing OY3Ta tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ta5+ atom.
DOI: 10.17188/1187738
title: Materials Data on ZrSi by Materials Project

description: ZrSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are five shorter (2.75 Å) and two longer (2.92 Å) Zr–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to seven equivalent Zr4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.46 Å.
DOI: 10.6084/m9.figshare.1434640.v15
title: Scientific Data recommended repositories

description: Spreadsheet listing data repositories that are recommended by Scientific Data (Springer Nature) as being suitable for hosting data associated with peer-reviewed articles. Please see the repository list on Scientific Data's website for the most up to date list.
DOI: 10.17188/1187739
title: Materials Data on TaSe2 by Materials Project

description: TaSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaSe2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
DOI: 10.17188/1187740
title: Materials Data on Rb2Se by Materials Project

description: Rb2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing RbSe4 tetrahedra. All Rb–Se bond lengths are 3.52 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.
DOI: 10.17188/1187741
title: Materials Data on P2W by Materials Project

description: WP2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. W6+ is bonded to seven P3- atoms to form a mixture of distorted corner, edge, and face-sharing WP7 pentagonal bipyramids. There are five shorter (2.50 Å) and two longer (2.51 Å) W–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to four equivalent W6+ and one P3- atom. The P–P bond length is 2.17 Å. In the second P3- site, P3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent W6+ and one P3- atom.
DOI: 10.17188/1187742
title: Materials Data on P2W by Materials Project

description: WP2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are a spread of W–P bond distances ranging from 2.48–2.65 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to three equivalent W6+ and three equivalent P3- atoms. There are one shorter (2.20 Å) and two longer (2.65 Å) P–P bond lengths. In the second P3- site, P3- is bonded in a 5-coordinate geometry to five equivalent W6+ atoms.
DOI: 10.17188/1187743
title: Materials Data on V5S4 by Materials Project

description: V5S4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to five equivalent S atoms to form a mixture of distorted corner and edge-sharing VS5 square pyramids. There are a spread of V–S bond distances ranging from 2.33–2.41 Å. In the second V site, V is bonded in a distorted square co-planar geometry to four equivalent S atoms. All V–S bond lengths are 2.51 Å. S is bonded in a 6-coordinate geometry to six V atoms.
DOI: 10.17188/1187744
title: Materials Data on UB2C by Materials Project

description: UB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All U–C bond lengths are 2.44 Å. In the second U4+ site, U4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing UC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.60 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four U4+ and two equivalent B atoms to form a mixture of distorted edge and corner-sharing CU4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–78°.
DOI: 10.17188/1187745
title: Materials Data on W by Materials Project

description: W crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to fourteen W atoms. There are a spread of W–W bond distances ranging from 2.54–3.12 Å. In the second W site, W is bonded to twelve equivalent W atoms to form a mixture of edge and face-sharing WW12 cuboctahedra.
DOI: 10.17188/1187746
title: Materials Data on BeSe by Materials Project

description: BeSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent Se2- atoms to form a mixture of corner and edge-sharing BeSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Be–Se bond lengths are 2.46 Å. Se2- is bonded to six equivalent Be2+ atoms to form a mixture of corner and edge-sharing SeBe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187747
title: Materials Data on Sc3Si3Ni2 by Materials Project

description: Sc3Ni2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sc+2.67+ sites. In the first Sc+2.67+ site, Sc+2.67+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.79–3.06 Å. In the second Sc+2.67+ site, Sc+2.67+ is bonded to five Si4- atoms to form ScSi5 trigonal bipyramids that share corners with six equivalent ScSi5 trigonal bipyramids, corners with four equivalent NiSi4 trigonal pyramids, and edges with four equivalent NiSi4 trigonal pyramids. There are a spread of Sc–Si bond distances ranging from 2.77–2.89 Å. Ni2+ is bonded to four Si4- atoms to form NiSi4 trigonal pyramids that share corners with two equivalent ScSi5 trigonal bipyramids, corners with three equivalent NiSi4 trigonal pyramids, edges with two equivalent ScSi5 trigonal bipyramids, and edges with two equivalent NiSi4 trigonal pyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Sc+2.67+ and two equivalent Ni2+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sc+2.67+, three equivalent Ni2+, and one Si4- atom. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1187748
title: Materials Data on Dy(Ni2As)2 by Materials Project

description: DyNi4As2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded to six equivalent As atoms to form a mixture of distorted edge and corner-sharing DyAs6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.89 Å) and four longer (2.92 Å) Dy–As bond lengths. Ni is bonded in a 3-coordinate geometry to three equivalent As atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Ni–As bond lengths. As is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Ni atoms.
DOI: 10.17188/1187749
title: Materials Data on GaSe by Materials Project

description: GaSe is black P-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six GaSe sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All Ga–Se bond lengths are 2.50 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms.
DOI: 10.17188/1187750
title: Materials Data on Th by Materials Project

description: Th is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to eight equivalent Th atoms. All Th–Th bond lengths are 3.47 Å.
DOI: 10.17188/1187751
title: Materials Data on PrO by Materials Project

description: PrO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent O atoms to form a mixture of corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–O bond lengths are 2.55 Å. O is bonded to six equivalent Pr atoms to form a mixture of corner and edge-sharing OPr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1187752
title: Materials Data on ZrP by Materials Project

description: ZrP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six P3- atoms to form a mixture of edge, face, and corner-sharing ZrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.59 Å) and three longer (2.73 Å) Zr–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing PZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra.
DOI: 10.17188/1187753
title: Materials Data on TbF3 by Materials Project

description: TbF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.33–2.55 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Tb3+ atoms.
DOI: 10.17188/1187754
title: Materials Data on NbPd3 by Materials Project

description: NbPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Pd atoms to form NbPd12 cuboctahedra that share corners with four equivalent NbPd12 cuboctahedra, corners with eight equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen equivalent PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.83 Å) Nb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Nb and eight equivalent Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent PdNb4Pd8 cuboctahedra, corners with eight equivalent NbPd12 cuboctahedra, edges with twenty-four PdNb4Pd8 cuboctahedra, faces with six equivalent NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to four equivalent Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å.