cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205396
title: Materials Data on Ga3PO7 by Materials Project

description: Ga3PO7 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with two equivalent PO4 tetrahedra, corners with four equivalent GaO5 trigonal bipyramids, and edges with two equivalent GaO5 trigonal bipyramids. There are a spread of Ga–O bond distances ranging from 1.89–2.17 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent GaO5 trigonal bipyramids. There is three shorter (1.53 Å) and one longer (1.60 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ga3+ and one P5+ atom.
DOI: 10.17188/1205397
title: Materials Data on As8S9 by Materials Project

description: As4S5(SAs)4 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two tetraarsenic tetrasulfide molecules and two As4S5 clusters. In each As4S5 cluster, there are two inequivalent As+2.25+ sites. In the first As+2.25+ site, As+2.25+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) As–S bond lengths. In the second As+2.25+ site, As+2.25+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.27 Å) and two longer (2.28 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.25+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.25+ atoms.
DOI: 10.17188/1205398
title: Materials Data on Ba2Tl7Au by Materials Project

description: Ba2AuTl7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 11-coordinate geometry to two equivalent Au and eleven Tl atoms. Both Ba–Au bond lengths are 3.99 Å. There are a spread of Ba–Tl bond distances ranging from 3.68–3.85 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to three equivalent Au and eleven Tl atoms. There are two shorter (3.79 Å) and one longer (3.84 Å) Ba–Au bond lengths. There are a spread of Ba–Tl bond distances ranging from 3.66–3.94 Å. Au is bonded in a 5-coordinate geometry to five Ba and five Tl atoms. There are a spread of Au–Tl bond distances ranging from 2.88–3.00 Å. There are seven inequivalent Tl sites. In the first Tl site, Tl is bonded in a 7-coordinate geometry to two equivalent Ba and five Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.18–3.46 Å. In the second Tl site, Tl is bonded in a distorted single-bond geometry to two equivalent Ba, one Au, and four Tl atoms. There are two shorter (3.20 Å) and one longer (3.56 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a distorted single-bond geometry to three equivalent Ba, one Au, and three Tl atoms. The Tl–Tl bond length is 3.41 Å. In the fourth Tl site, Tl is bonded in a 8-coordinate geometry to three equivalent Ba and five Tl atoms. The Tl–Tl bond length is 3.20 Å. In the fifth Tl site, Tl is bonded in a distorted bent 120 degrees geometry to four Ba, two equivalent Au, and one Tl atom. In the sixth Tl site, Tl is bonded in a distorted single-bond geometry to four Ba, one Au, and four Tl atoms. There are two shorter (3.18 Å) and one longer (3.28 Å) Tl–Tl bond lengths. In the seventh Tl site, Tl is bonded in a 8-coordinate geometry to four Ba and four Tl atoms.
DOI: 10.17188/1205399
title: Materials Data on Sc6Te2Rh by Materials Project

description: Sc6RhTe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent Te atoms. Both Sc–Rh bond lengths are 2.68 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Rh and four equivalent Te atoms. The Sc–Rh bond length is 3.06 Å. All Sc–Te bond lengths are 3.06 Å. Rh is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.
DOI: 10.17188/1205400
title: Materials Data on Na3B7O12 by Materials Project

description: Na3B7O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.57 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.39 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.64 Å. There are seven inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.52 Å. In the sixth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. In the seventh B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Na1+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two B3+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and two B3+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.
DOI: 10.17188/1205401
title: Materials Data on Hg3(SeBr)2 by Materials Project

description: Hg3(SeBr)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to two Se2- and three Br1- atoms to form distorted HgSe2Br3 square pyramids that share corners with two HgSe2Br4 octahedra, a cornercorner with one HgSe2Br3 square pyramid, edges with two HgSe2Br4 octahedra, and an edgeedge with one HgSe2Br3 square pyramid. The corner-sharing octahedra tilt angles range from 59–61°. Both Hg–Se bond lengths are 2.59 Å. There are a spread of Hg–Br bond distances ranging from 2.93–3.52 Å. In the second Hg2+ site, Hg2+ is bonded to two equivalent Se2- and four Br1- atoms to form HgSe2Br4 octahedra that share corners with four equivalent HgSe2Br4 octahedra, corners with two equivalent HgSe2Br3 square pyramids, edges with four HgSe2Br4 octahedra, and edges with two equivalent HgSe2Br3 square pyramids. The corner-sharing octahedra tilt angles range from 4–9°. Both Hg–Se bond lengths are 2.56 Å. There are two shorter (3.33 Å) and two longer (3.35 Å) Hg–Br bond lengths. In the third Hg2+ site, Hg2+ is bonded to two equivalent Se2- and four Br1- atoms to form HgSe2Br4 octahedra that share corners with four equivalent HgSe2Br4 octahedra, corners with two equivalent HgSe2Br3 square pyramids, edges with four HgSe2Br4 octahedra, and edges with two equivalent HgSe2Br3 square pyramids. The corner-sharing octahedra tilt angles range from 4–9°. Both Hg–Se bond lengths are 2.56 Å. There are two shorter (3.25 Å) and two longer (3.42 Å) Hg–Br bond lengths. In the fourth Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to two equivalent Se2- and three Br1- atoms. Both Hg–Se bond lengths are 2.55 Å. There are a spread of Hg–Br bond distances ranging from 3.12–3.39 Å. In the fifth Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two equivalent Se2- and three Br1- atoms. Both Hg–Se bond lengths are 2.56 Å. There are a spread of Hg–Br bond distances ranging from 3.01–3.66 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to five Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to seven Hg2+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Hg2+ atoms. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to five Hg2+ atoms.
DOI: 10.17188/1205402
title: Materials Data on Tl2TeBr6 by Materials Project

description: Tl2TeBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.52 Å) and four longer (3.81 Å) Tl–Br bond lengths. Te4+ is bonded in an octahedral geometry to six Br1- atoms. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom.
DOI: 10.17188/1205403
title: Materials Data on Tl2TeI6 by Materials Project

description: Tl2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–3.93 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) Te–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.
DOI: 10.17188/1205404
title: Materials Data on CeSiRh2 by Materials Project

description: CeRh2Si crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.98–3.42 Å. All Ce–Si bond lengths are 3.19 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six equivalent Ce, two equivalent Rh, and one Si atom. Both Rh–Rh bond lengths are 2.72 Å. The Rh–Si bond length is 2.37 Å. In the second Rh site, Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing RhCe4Si4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.40 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.
DOI: 10.17188/1205405
title: Materials Data on Ce3(Al3Ru)4 by Materials Project

description: Ce3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Ce–Ru bond lengths are 3.38 Å. There are a spread of Ce–Al bond distances ranging from 2.99–3.23 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Ce and eight Al atoms. There are four shorter (2.57 Å) and four longer (2.70 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.61 Å) Ru–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to three equivalent Ce and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce and two equivalent Ru atoms.
DOI: 10.17188/1205406
title: Materials Data on Lu(SiRh)2 by Materials Project

description: LuRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Lu–Rh bond lengths are 3.19 Å. All Lu–Si bond lengths are 3.10 Å. Rh is bonded to four equivalent Lu and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RhLu4Si4 tetrahedra. All Rh–Si bond lengths are 2.39 Å. Si is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.38 Å.
DOI: 10.17188/1205407
title: Materials Data on YAlSi by Materials Project

description: AlSiY crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 2-coordinate geometry to four equivalent Al and five equivalent Si atoms. All Y–Al bond lengths are 3.18 Å. There are a spread of Y–Si bond distances ranging from 2.93–3.03 Å. Al is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Si atoms. All Al–Si bond lengths are 2.67 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Al atoms.
DOI: 10.17188/1205408
title: Materials Data on Sc(MnAl2)4 by Materials Project

description: Sc(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.87 Å) and eight longer (3.22 Å) Sc–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Mn and eight Al atoms. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.53 Å) and four longer (2.62 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Sc, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.92 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.
DOI: 10.17188/1205409
title: Materials Data on Li4ZrGe2 by Materials Project

description: ZrLi4Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to three equivalent Li and three equivalent Ge atoms. All Li–Li bond lengths are 2.58 Å. All Li–Ge bond lengths are 2.66 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li, three equivalent Zr, and four equivalent Ge atoms. All Li–Zr bond lengths are 3.15 Å. There are one shorter (2.67 Å) and three longer (2.71 Å) Li–Ge bond lengths. Zr is bonded in a distorted linear geometry to six equivalent Li and two equivalent Ge atoms. Both Zr–Ge bond lengths are 2.67 Å. Ge is bonded to seven Li and one Zr atom to form a mixture of distorted corner and edge-sharing GeLi7Zr hexagonal bipyramids.
DOI: 10.17188/1205410
title: Materials Data on PrSi2Ru by Materials Project

description: PrRuSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.03–3.31 Å. Ru5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.38–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+, four equivalent Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.57 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Pr3+, one Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å.
DOI: 10.17188/1205411
title: Materials Data on ZrGe2Rh by Materials Project

description: ZrRhGe2 crystallizes in the orthorhombic Pbam 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 four Rh and eight Ge atoms. There are a spread of Zr–Rh bond distances ranging from 3.11–3.25 Å. There are a spread of Zr–Ge bond distances ranging from 2.77–3.06 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to six Rh and seven Ge atoms. There are a spread of Zr–Rh bond distances ranging from 3.11–3.29 Å. There are a spread of Zr–Ge bond distances ranging from 2.82–3.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Zr and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.64 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Zr and six Ge atoms. There are two shorter (2.55 Å) and four longer (2.61 Å) Rh–Ge bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Zr, three Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Zr, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Zr, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Zr and four Rh atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to five Zr and four Rh atoms.
DOI: 10.17188/1205412
title: Materials Data on NaP5 by Materials Project

description: NaP5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven P+0.20- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.37 Å. There are four inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. All P–P bond lengths are 2.24 Å. In the second P+0.20- site, P+0.20- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two P+0.20- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form distorted corner-sharing PNaP3 tetrahedra.
DOI: 10.17188/1205413
title: Materials Data on Tb2Pd2Pb by Materials Project

description: Tb2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (3.00 Å) Tb–Pd bond lengths. All Tb–Pb bond lengths are 3.47 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Tb and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Tb and four equivalent Pd atoms to form a mixture of corner and face-sharing PbTb8Pd4 cuboctahedra.
DOI: 10.17188/1205414
title: Materials Data on Dy2Pd2Pb by Materials Project

description: Dy2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.91 Å) and four longer (2.99 Å) Dy–Pd bond lengths. All Dy–Pb bond lengths are 3.46 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Dy, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Pb bond lengths are 3.15 Å. Pb is bonded to eight equivalent Dy and four equivalent Pd atoms to form a mixture of corner and face-sharing PbDy8Pd4 cuboctahedra.
DOI: 10.17188/1205415
title: Materials Data on Ho2Pd2Pb by Materials Project

description: Ho2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.91 Å) and four longer (2.97 Å) Ho–Pd bond lengths. All Ho–Pb bond lengths are 3.45 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Ho, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.82 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Ho and four equivalent Pd atoms to form a mixture of corner and face-sharing PbHo8Pd4 cuboctahedra.
DOI: 10.17188/1205416
title: Materials Data on UGeTe by Materials Project

description: UGeTe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Te atoms. All U–Ge bond lengths are 2.97 Å. There are four shorter (3.10 Å) and one longer (3.38 Å) U–Te bond lengths. Ge is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.91 Å. Te is bonded in a 5-coordinate geometry to five equivalent U atoms.
DOI: 10.17188/1205417
title: Materials Data on Er2Pd2Pb by Materials Project

description: Er2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (2.96 Å) Er–Pd bond lengths. All Er–Pb bond lengths are 3.44 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Er and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.13 Å. Pb is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbEr8Pd4 cuboctahedra.