cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1753918
title: Materials Data on La4Fe(SbS5)2 by Materials Project

description: La4FeSb2S10 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.94–3.07 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.06 Å. In the third La3+ site, La3+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of La–S bond distances ranging from 3.10–3.32 Å. In the fourth La3+ site, La3+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of La–S bond distances ranging from 3.08–3.32 Å. Fe2+ is bonded in a tetrahedral geometry to four S2- atoms. All Fe–S bond lengths are 2.27 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.49–2.81 Å. In the second Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sb–S bond distances ranging from 2.49–3.24 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded to five La3+ and one Sb3+ atom to form distorted corner-sharing SLa5Sb octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second S2- site, S2- is bonded to three La3+ and three Sb3+ atoms to form distorted corner-sharing SLa3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 1–50°. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Fe2+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and two Sb3+ atoms. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four La3+ and one Fe2+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Sb3+ atom.
DOI: 10.17188/1753919
title: Materials Data on Ca2MnO3 by Materials Project

description: Ca2MnO3 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share a cornercorner with one MnO6 octahedra, corners with five equivalent CaO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Ca–O bond distances ranging from 2.29–2.48 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four equivalent MnO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.27 Å) and four longer (2.38 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OCa2Mn4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both O–Ca bond lengths are 2.29 Å. In the second O2- site, O2- is bonded to five equivalent Ca2+ and one Mn2+ atom to form a mixture of corner and edge-sharing OCa5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the third O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OCa2Mn4 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mn bond lengths are 2.38 Å.
DOI: 10.17188/1753920
title: Materials Data on TbMgS3 by Materials Project

description: MgTbS3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six S2- atoms to form distorted MgS6 octahedra that share corners with four equivalent TbS6 pentagonal pyramids, edges with three equivalent MgS6 octahedra, and edges with four equivalent TbS6 pentagonal pyramids. There are a spread of Mg–S bond distances ranging from 2.56–2.81 Å. Tb4+ is bonded to six S2- atoms to form distorted TbS6 pentagonal pyramids that share corners with four equivalent MgS6 octahedra, edges with four equivalent MgS6 octahedra, an edgeedge with one TbS6 pentagonal pyramid, and a faceface with one TbS6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Tb–S bond distances ranging from 2.68–2.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Tb4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Tb4+ atoms.
DOI: 10.17188/1753921
title: Materials Data on KLiY2(MoO4)4 by Materials Project

description: KLiY2(MoO4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.17 Å. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.61 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.50 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.88 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Li1+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Y3+, and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Li1+, and one Mo6+ atom.
DOI: 10.17188/1753922
title: Materials Data on Cs2TbAuCl6 by Materials Project

description: Cs2TbAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent TbCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.85 Å. Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.66 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent TbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.79 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Tb3+, and one Au1+ atom.
DOI: 10.17188/1753923
title: Materials Data on GdNiGe3 by Materials Project

description: GdNiGe3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Gd is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Gd–Ni bond lengths are 3.18 Å. There are a spread of Gd–Ge bond distances ranging from 3.10–3.23 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Gd and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.30–2.37 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Gd, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.92 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.48 Å.
DOI: 10.17188/1753924
title: Materials Data on LiLa(WO4)2 by Materials Project

description: LiLa(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.51 Å) and four longer (2.55 Å) Li–O bond lengths. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.50 Å) and four longer (2.52 Å) La–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.82 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one La3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one La3+, and one W6+ atom.
DOI: 10.17188/1753925
title: Materials Data on Ce5BiSb4 by Materials Project

description: Ce5BiSb4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Bi and three equivalent Sb atoms to form a mixture of edge and corner-sharing CeBi3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ce–Bi bond lengths are 3.27 Å. All Ce–Sb bond lengths are 3.16 Å. In the second Ce site, Ce is bonded to six equivalent Sb atoms to form a mixture of edge and corner-sharing CeSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Sb bond lengths are 3.20 Å. In the third Ce site, Ce is bonded to six Sb atoms to form a mixture of edge and corner-sharing CeSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (3.19 Å) and three longer (3.20 Å) Ce–Sb bond lengths. Bi is bonded to six equivalent Ce atoms to form BiCe6 octahedra that share corners with six equivalent SbCe6 octahedra, edges with six equivalent BiCe6 octahedra, and edges with six equivalent SbCe6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six Ce atoms to form SbCe6 octahedra that share corners with three equivalent BiCe6 octahedra, corners with three equivalent SbCe6 octahedra, edges with three equivalent BiCe6 octahedra, and edges with nine SbCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second Sb site, Sb is bonded to six Ce atoms to form a mixture of edge and corner-sharing SbCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1753926
title: Materials Data on K7(FeS2)5 by Materials Project

description: K7(FeS2)5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.34–3.50 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.11–3.82 Å. In the third K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 octahedra that share corners with eight FeS4 tetrahedra, edges with two FeS4 tetrahedra, and faces with two equivalent KS6 octahedra. There are a spread of K–S bond distances ranging from 3.13–3.48 Å. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.81 Å. There are three inequivalent Fe+2.60+ sites. In the first Fe+2.60+ site, Fe+2.60+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent KS6 octahedra, an edgeedge with one KS6 octahedra, and edges with two FeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–67°. There are three shorter (2.26 Å) and one longer (2.29 Å) Fe–S bond lengths. In the second Fe+2.60+ site, Fe+2.60+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent KS6 octahedra and edges with two equivalent FeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–47°. There are two shorter (2.24 Å) and two longer (2.26 Å) Fe–S bond lengths. In the third Fe+2.60+ site, Fe+2.60+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with two equivalent KS6 octahedra, an edgeedge with one KS6 octahedra, and edges with two FeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–68°. There are a spread of Fe–S bond distances ranging from 2.23–2.31 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to five K1+ and two equivalent Fe+2.60+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five K1+ and two Fe+2.60+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two Fe+2.60+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and two Fe+2.60+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two Fe+2.60+ atoms.
DOI: 10.17188/1753927
title: Materials Data on LaSbMo2O9 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: 10.17188/1753928
title: Materials Data on Li3Co(NiO3)2 by Materials Project

description: Li3Co(NiO3)2 is alpha Po-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent CoO6 octahedra, corners with three equivalent NiO6 octahedra, edges with three equivalent CoO6 octahedra, edges with three equivalent NiO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are three shorter (2.09 Å) and three longer (2.17 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Li–O bond lengths are 2.14 Å. Co3+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Co–O bond lengths are 1.99 Å. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–6°. There are three shorter (2.00 Å) and three longer (2.01 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Co3+ atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Ni3+ atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Ni3+ atoms to form OLi3Ni3 octahedra that share corners with six OLi3Co3 octahedra and edges with twelve OLi3Ni3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.
DOI: 10.17188/1753929
title: Materials Data on Ba5Al3F19 by Materials Project

description: Ba5Al3F19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to eleven F1- atoms. There are a spread of Ba–F bond distances ranging from 2.68–3.33 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.53–3.16 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.68 Å) and four longer (2.82 Å) Ba–F bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.81–1.85 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Al–F bond distances ranging from 1.81–1.91 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Al3+ atom. In the second F1- site, F1- is bonded to four Ba2+ atoms to form a mixture of distorted edge and corner-sharing FBa4 tetrahedra. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two Ba2+ and one Al3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Al3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two Ba2+ and one Al3+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to three Ba2+ and one Al3+ atom.
DOI: 10.17188/1753930
title: Materials Data on Ba2NdReO6 by Materials Project

description: Ba2NdReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 3.05 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.33 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Nd3+, and one Re5+ atom.
DOI: 10.17188/1753931
title: Materials Data on Nd5Rh4 by Materials Project

description: Nd5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Nd–Rh bond distances ranging from 2.88–3.08 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Nd–Rh bond distances ranging from 2.96–3.43 Å. In the third Nd site, Nd is bonded to six Rh atoms to form distorted corner-sharing NdRh6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Nd–Rh bond distances ranging from 2.81–3.32 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to eight Nd and one Rh atom. The Rh–Rh bond length is 2.71 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to eight Nd atoms. In the third Rh site, Rh is bonded in a 9-coordinate geometry to eight Nd and one Rh atom.
DOI: 10.17188/1753932
title: Materials Data on LiTb(WO4)2 by Materials Project

description: LiTbW2O8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.44 Å) Li–O bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. All Tb–O bond lengths are 2.39 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Tb3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Tb3+, and one W6+ atom.
DOI: 10.17188/1753933
title: Materials Data on BiPd2Au by Materials Project

description: Pd2AuBi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2AuBi ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Au and one Bi atom. The Pd–Au bond length is 2.60 Å. The Pd–Bi bond length is 2.47 Å. Au is bonded in a linear geometry to two equivalent Pd atoms. Bi is bonded in a linear geometry to two equivalent Pd atoms.