cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205170
title: Materials Data on TbNi5 by Materials Project

description: TbNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.81 Å) and twelve longer (3.13 Å) Tb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.42 Å. In the second Ni site, Ni is bonded to four equivalent Tb and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiTb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.44 Å.
DOI: 10.17188/1205171
title: Materials Data on Th7Ni3 by Materials Project

description: Th7Ni3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All Th–Ni bond lengths are 2.99 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Ni atoms. Both Th–Ni bond lengths are 2.86 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are two shorter (2.84 Å) and one longer (2.88 Å) Th–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Th atoms.
DOI: 10.17188/1205172
title: Materials Data on BeAl2O4 by Materials Project

description: BeAl2O4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with six AlO6 octahedra and edges with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 59–63°. There are a spread of Be–O bond distances ranging from 1.58–1.70 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight AlO6 octahedra, corners with four equivalent BeO4 tetrahedra, edges with two equivalent AlO6 octahedra, and an edgeedge with one BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of Al–O bond distances ranging from 1.88–2.03 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent AlO6 octahedra, corners with two equivalent BeO4 tetrahedra, edges with four AlO6 octahedra, and edges with two equivalent BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–57°. There are a spread of Al–O bond distances ranging from 1.89–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Be2+ and three Al3+ atoms. In the second O2- site, O2- is bonded to one Be2+ and three Al3+ atoms to form distorted corner-sharing OBeAl3 tetrahedra. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Be2+ and three Al3+ atoms.
DOI: 10.17188/1205173
title: Materials Data on Th2Ni17 by Materials Project

description: Th2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.94–3.23 Å. In the second Th site, Th is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Th–Ni bond distances ranging from 2.84–3.14 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Th and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.71 Å. In the second Ni site, Ni is bonded to two equivalent Th and ten Ni atoms to form NiTh2Ni10 cuboctahedra that share corners with fourteen NiTh2Ni10 cuboctahedra, edges with six equivalent NiTh3Ni9 cuboctahedra, and faces with ten NiTh2Ni10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Th and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.54 Å. In the fourth Ni site, Ni is bonded to three Th and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.41 Å.
DOI: 10.17188/1205174
title: Materials Data on Ni4W by Materials Project

description: Ni4W crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. W is bonded to twelve Ni atoms to form WNi12 cuboctahedra that share corners with twelve NiNi9W3 cuboctahedra, edges with eight equivalent WNi12 cuboctahedra, edges with sixteen NiNi9W3 cuboctahedra, faces with two equivalent WNi12 cuboctahedra, and faces with sixteen NiNi9W3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.57 Å) W–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine equivalent NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. In the third Ni site, Ni is bonded to three equivalent W and nine Ni atoms to form distorted NiNi9W3 cuboctahedra that share corners with three equivalent WNi12 cuboctahedra, corners with nine NiNi9W3 cuboctahedra, edges with four equivalent WNi12 cuboctahedra, edges with twenty NiNi9W3 cuboctahedra, faces with four equivalent WNi12 cuboctahedra, and faces with fourteen NiNi9W3 cuboctahedra.
DOI: 10.17188/1205175
title: Materials Data on Zr9Ni11 by Materials Project

description: Zr9Ni11 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are eight shorter (2.86 Å) and two longer (3.24 Å) Zr–Ni bond lengths. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.66–3.08 Å. In the third Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.63–2.75 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted square co-planar geometry to six Zr atoms. In the second Ni site, Ni is bonded in a 4-coordinate geometry to eight Zr atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven Zr atoms.
DOI: 10.17188/1205176
title: Materials Data on LaAl3Pd2 by Materials Project

description: LaPd2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Pd and twelve equivalent Al atoms. All La–Pd bond lengths are 3.20 Å. All La–Al bond lengths are 3.49 Å. Pd is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Al atoms. All Pd–Al bond lengths are 2.66 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Pd atoms.
DOI: 10.17188/1205177
title: Materials Data on Li2AlPd by Materials Project

description: Li2PdAl 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 Li, six equivalent Pd, and four equivalent Al atoms to form distorted LiLi4Al4Pd6 tetrahedra that share corners with eighteen LiLi4Pd4 tetrahedra and faces with sixteen LiLi4Al4Pd6 tetrahedra. All Li–Li bond lengths are 2.64 Å. All Li–Pd bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form distorted LiLi4Pd4 tetrahedra that share corners with twelve equivalent LiLi4Al4Pd6 tetrahedra, edges with twelve equivalent LiLi4Pd4 tetrahedra, and faces with four equivalent LiLi4Al4Pd6 tetrahedra. All Li–Pd bond lengths are 2.64 Å. Pd is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Pd–Al bond lengths are 2.64 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1205178
title: Materials Data on LiAl2Pd by Materials Project

description: LiPdAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Pd and eight equivalent Al atoms. All Li–Pd bond lengths are 3.05 Å. All Li–Al bond lengths are 2.65 Å. Pd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Pd–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1205179
title: Materials Data on Li2AlPt by Materials Project

description: Li2PtAl 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 Li, six equivalent Pt, and four equivalent Al atoms to form distorted LiLi4Al4Pt6 tetrahedra that share corners with eighteen LiLi4Pt4 tetrahedra and faces with sixteen LiLi4Al4Pt6 tetrahedra. All Li–Li bond lengths are 2.62 Å. All Li–Pt bond lengths are 3.03 Å. All Li–Al bond lengths are 2.62 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pt atoms to form distorted LiLi4Pt4 tetrahedra that share corners with twelve equivalent LiLi4Al4Pt6 tetrahedra, edges with twelve equivalent LiLi4Pt4 tetrahedra, and faces with four equivalent LiLi4Al4Pt6 tetrahedra. All Li–Pt bond lengths are 2.62 Å. Pt is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Pt–Al bond lengths are 2.62 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.
DOI: 10.17188/1205180
title: Materials Data on LiAl2Pt by Materials Project

description: LiPtAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Pt and eight equivalent Al atoms. All Li–Pt bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Pt–Al bond lengths are 2.64 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.
DOI: 10.17188/1205181
title: Materials Data on CaSO4 by Materials Project

description: CaSO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent O2- atoms to form distorted CaO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra, edges with four equivalent CaO8 hexagonal bipyramids, and edges with two equivalent SO4 tetrahedra. There are four shorter (2.41 Å) and four longer (2.57 Å) Ca–O bond lengths. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with four equivalent CaO8 hexagonal bipyramids and edges with two equivalent CaO8 hexagonal bipyramids. All S–O bond lengths are 1.49 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one S6+ atom.
DOI: 10.17188/1205182
title: Materials Data on Li2AlRh by Materials Project

description: Li2RhAl 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 Li, six equivalent Rh, and four equivalent Al atoms to form distorted LiLi4Al4Rh6 tetrahedra that share corners with eighteen LiLi4Rh4 tetrahedra and faces with sixteen LiLi4Al4Rh6 tetrahedra. All Li–Li bond lengths are 2.60 Å. All Li–Rh bond lengths are 3.00 Å. All Li–Al bond lengths are 2.60 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Rh atoms to form distorted LiLi4Rh4 tetrahedra that share corners with twelve equivalent LiLi4Al4Rh6 tetrahedra, edges with twelve equivalent LiLi4Rh4 tetrahedra, and faces with four equivalent LiLi4Al4Rh6 tetrahedra. All Li–Rh bond lengths are 2.60 Å. Rh is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Rh–Al bond lengths are 2.60 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1205183
title: Materials Data on LiAl2Rh by Materials Project

description: LiRhAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Rh and eight equivalent Al atoms. All Li–Rh bond lengths are 3.02 Å. All Li–Al bond lengths are 2.61 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Rh–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1205184
title: Materials Data on PuOs2 by Materials Project

description: PuOs2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu4+ is bonded in a 12-coordinate geometry to twelve equivalent Os2- atoms. All Pu–Os bond lengths are 3.09 Å. Os2- is bonded to six equivalent Pu4+ and six equivalent Os2- atoms to form a mixture of edge, face, and corner-sharing OsPu6Os6 cuboctahedra. All Os–Os bond lengths are 2.64 Å.
DOI: 10.17188/1205185
title: Materials Data on Pu5Os3 by Materials Project

description: Pu5Os3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to four Os atoms to form distorted edge-sharing PuOs4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Pu–Os bond lengths. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six Os atoms. There are a spread of Pu–Os bond distances ranging from 2.94–3.19 Å. In the third Pu site, Pu is bonded in a 6-coordinate geometry to six Os atoms. There are a spread of Pu–Os bond distances ranging from 2.93–3.19 Å. There are three inequivalent Os sites. In the first Os site, Os is bonded in a 10-coordinate geometry to eight Pu and two equivalent Os atoms. Both Os–Os bond lengths are 2.77 Å. In the second Os site, Os is bonded in a 10-coordinate geometry to ten Pu atoms. In the third Os site, Os is bonded in a 10-coordinate geometry to ten Pu atoms.
DOI: 10.17188/1205186
title: Materials Data on PaRh3 by Materials Project

description: PaRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Rh atoms to form PaRh12 cuboctahedra that share corners with twelve equivalent PaRh12 cuboctahedra, edges with twenty-four equivalent RhPa4Rh8 cuboctahedra, faces with six equivalent PaRh12 cuboctahedra, and faces with twelve equivalent RhPa4Rh8 cuboctahedra. All Pa–Rh bond lengths are 2.87 Å. Rh is bonded to four equivalent Pa and eight equivalent Rh atoms to form distorted RhPa4Rh8 cuboctahedra that share corners with twelve equivalent RhPa4Rh8 cuboctahedra, edges with eight equivalent PaRh12 cuboctahedra, edges with sixteen equivalent RhPa4Rh8 cuboctahedra, faces with four equivalent PaRh12 cuboctahedra, and faces with fourteen equivalent RhPa4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.87 Å.
DOI: 10.17188/1205187
title: Materials Data on Pd13Pb9 by Materials Project

description: Pd13Pb9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are seven inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to six Pd and six Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.95–3.12 Å. There are a spread of Pd–Pb bond distances ranging from 2.88–2.99 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to six Pd and five Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.95–3.12 Å. There are a spread of Pd–Pb bond distances ranging from 2.88–3.28 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to five Pd and six Pb atoms. There are one shorter (2.98 Å) and one longer (3.01 Å) Pd–Pd bond lengths. There are a spread of Pd–Pb bond distances ranging from 2.77–3.02 Å. In the fourth Pd site, Pd is bonded in a 6-coordinate geometry to five Pd and six Pb atoms. There are one shorter (3.06 Å) and one longer (3.07 Å) Pd–Pd bond lengths. There are a spread of Pd–Pb bond distances ranging from 2.76–3.00 Å. In the fifth Pd site, Pd is bonded in a 6-coordinate geometry to five Pd and six Pb atoms. There are one shorter (3.09 Å) and one longer (3.11 Å) Pd–Pd bond lengths. There are a spread of Pd–Pb bond distances ranging from 2.77–2.99 Å. In the sixth Pd site, Pd is bonded to six Pd and six Pb atoms to form a mixture of distorted corner and face-sharing PdPd6Pb6 cuboctahedra. There are a spread of Pd–Pb bond distances ranging from 2.88–3.13 Å. In the seventh Pd site, Pd is bonded to six Pd and six Pb atoms to form a mixture of distorted corner and face-sharing PdPd6Pb6 cuboctahedra. There are a spread of Pd–Pb bond distances ranging from 2.88–3.11 Å. There are five inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to nine Pd atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to eight Pd atoms. In the third Pb site, Pb is bonded in a 10-coordinate geometry to ten Pd atoms. In the fourth Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the fifth Pb site, Pb is bonded in a distorted body-centered cubic geometry to eight Pd atoms.
DOI: 10.17188/1205188
title: Materials Data on Sr2Pb by Materials Project

description: Sr2Pb is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Sr–Pb bond distances ranging from 3.54–4.02 Å. In the second Sr site, Sr is bonded to four equivalent Pb atoms to form a mixture of edge and corner-sharing SrPb4 tetrahedra. There are a spread of Sr–Pb bond distances ranging from 3.38–3.48 Å. Pb is bonded in a 9-coordinate geometry to nine Sr atoms.
DOI: 10.17188/1205189
title: Materials Data on V3Pb by Materials Project

description: V3Pb crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Pb atoms. Both V–V bond lengths are 2.51 Å. All V–Pb bond lengths are 2.81 Å. Pb is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing PbV12 cuboctahedra.
DOI: 10.17188/1205190
title: Materials Data on SrSn3Pd by Materials Project

description: SrPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Sn atoms. All Sr–Pd bond lengths are 3.82 Å. There are a spread of Sr–Sn bond distances ranging from 3.60–3.76 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Sr and five Sn atoms. There are one shorter (2.64 Å) and four longer (2.72 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.07 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Pd, and two equivalent Sn atoms.
DOI: 10.17188/1205191
title: Materials Data on TaPd2 by Materials Project

description: TaPd2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ta is bonded to ten equivalent Pd atoms to form a mixture of distorted edge and face-sharing TaPd10 cuboctahedra. There are eight shorter (2.80 Å) and two longer (2.85 Å) Ta–Pd bond lengths. Pd is bonded to five equivalent Ta atoms to form a mixture of distorted edge, face, and corner-sharing PdTa5 cuboctahedra.
DOI: 10.17188/1205192
title: Materials Data on TaPd3 by Materials Project

description: Pd3Ta is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ta is bonded to twelve Pd atoms to form TaPd12 cuboctahedra that share corners with four equivalent TaPd12 cuboctahedra, edges with eight equivalent TaPd12 cuboctahedra, edges with sixteen equivalent PdTa4Pd8 cuboctahedra, faces with four equivalent TaPd12 cuboctahedra, and faces with eight equivalent PdTa4Pd8 cuboctahedra. There are four shorter (2.78 Å) and eight longer (2.82 Å) Ta–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ta and eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.82 Å. In the second Pd site, Pd is bonded to four equivalent Ta and eight Pd atoms to form distorted PdTa4Pd8 cuboctahedra that share corners with twelve equivalent PdTa4Pd8 cuboctahedra, edges with eight equivalent TaPd12 cuboctahedra, edges with eight equivalent PdTa4Pd8 cuboctahedra, faces with four equivalent TaPd12 cuboctahedra, and faces with ten equivalent PdTa4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.78 Å.
DOI: 10.17188/1205193
title: Materials Data on TbTlPd by Materials Project

description: TbPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent Tl atoms. There are four shorter (3.07 Å) and one longer (3.17 Å) Tb–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.38 Å) Tb–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Tl atoms. All Pd–Tl bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.93 Å. Tl is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.
DOI: 10.17188/1205194
title: Materials Data on ThPd by Materials Project

description: ThPd crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Th–Pd bond distances ranging from 3.05–3.18 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Th and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.97 Å.
DOI: 10.17188/1205195
title: Materials Data on Th3Pd5 by Materials Project

description: Th3Pd5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight Pd atoms. There are a spread of Th–Pd bond distances ranging from 2.84–3.33 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a trigonal planar geometry to three equivalent Th and six equivalent Pd atoms. All Pd–Pd bond lengths are 3.02 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six equivalent Th and four equivalent Pd atoms.