cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758392
title: Materials Data on Mg2Sb by Materials Project

description: Mg2Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.00 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Sb atoms. All Mg–Sb bond lengths are 3.05 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Sb atoms. There are four shorter (3.27 Å) and two longer (3.32 Å) Mg–Sb bond lengths. In the fourth Mg site, Mg is bonded to four Sb atoms to form distorted edge-sharing MgSb4 cuboctahedra. There are two shorter (3.15 Å) and two longer (3.16 Å) Mg–Sb bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to eight Mg atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1758394
title: Materials Data on Na2MoO6 by Materials Project

description: Na2MoO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.63 Å. In the second Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.84 Å. Mo is bonded to six O atoms to form distorted MoO6 octahedra that share a cornercorner with one ONa2MoO tetrahedra. There are a spread of Mo–O bond distances ranging from 1.81–2.24 Å. There are six inequivalent O sites. In the first O site, O is bonded to two Na, one Mo, and one O atom to form distorted ONa2MoO tetrahedra that share a cornercorner with one MoO6 octahedra. The corner-sharing octahedral tilt angles are 70°. The O–O bond length is 1.44 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Na, one Mo, and one O atom. The O–O bond length is 1.47 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Na and one Mo atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two Na, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Mo atom. In the sixth O site, O is bonded in a distorted see-saw-like geometry to two equivalent Na, one Mo, and one O atom.
DOI: 10.17188/1758397
title: Materials Data on Sr2MnBiPbO6 by Materials Project

description: BiPbSr2MnO6 crystallizes in the monoclinic P2 space group. The structure is two-dimensional and consists of one BiPbSr2MnO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.94 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.97 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.95 Å) and two longer (2.26 Å) Mn–O bond lengths. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.94 Å) and two longer (2.38 Å) Mn–O bond lengths. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.34 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.13 Å) and one longer (2.14 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+ and two Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded to four Sr2+ and two Mn3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Mn3+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Mn3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb2+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+, one Pb2+, and one Bi3+ atom.
DOI: 10.17188/1758398
title: Materials Data on Y3In5 by Materials Project

description: Y3In5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.69 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Y–In bond distances ranging from 3.30–3.69 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to six Y and two equivalent In atoms. Both In–In bond lengths are 3.11 Å. In the second In site, In is bonded in a 5-coordinate geometry to five Y and three In atoms. There are one shorter (3.27 Å) and two longer (3.35 Å) In–In bond lengths. In the third In site, In is bonded in a 9-coordinate geometry to six Y and three In atoms. Both In–In bond lengths are 3.18 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to six Y and four In atoms. The In–In bond length is 3.14 Å.
DOI: 10.17188/1758399
title: Materials Data on Ga3Fe4Co8Si by Materials Project

description: Fe4Co8Ga3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.47–2.54 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Co atoms. There are a spread of Fe–Co bond distances ranging from 2.41–2.49 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to four Fe and four Ga atoms. There are three shorter (2.47 Å) and one longer (2.48 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to four equivalent Fe and four Ga atoms. There are three shorter (2.47 Å) and one longer (2.49 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.50 Å. All Co–Si bond lengths are 2.45 Å. In the fourth Co site, Co is bonded in a body-centered cubic geometry to four Fe, three equivalent Ga, and one Si atom. All Co–Ga bond lengths are 2.49 Å. The Co–Si bond length is 2.38 Å. In the fifth Co site, Co is bonded in a distorted body-centered cubic geometry to four equivalent Fe, one Ga, and three equivalent Si atoms. The Co–Ga bond length is 2.50 Å. All Co–Si bond lengths are 2.45 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight Co atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight Co atoms. Si is bonded in a distorted body-centered cubic geometry to eight Co atoms.
DOI: 10.17188/1758401
title: Materials Data on Li2MgCd by Materials Project

description: Li2MgCd 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 in a 4-coordinate geometry to four equivalent Mg atoms. All Li–Mg bond lengths are 2.95 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 2.95 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Mg–Cd bond lengths are 2.95 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms.
DOI: 10.17188/1758402
title: Materials Data on NaCrSe2 by Materials Project

description: NaCrSe2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one NaCrSe2 ribbon oriented in the (0, 0, 1) direction. Na1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Na–Se bond lengths are 2.66 Å. Cr3+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cr–Se bond lengths are 2.32 Å. Se2- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.
DOI: 10.17188/1758403
title: Materials Data on Mn2PO5 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: 10.17188/1758404
title: Materials Data on MgZn2Ru by Materials Project

description: MgRuZn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgRuZn2 ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Zn atoms. Both Mg–Zn bond lengths are 2.83 Å. Ru is bonded in a linear geometry to two equivalent Zn atoms. Both Ru–Zn bond lengths are 2.48 Å. Zn is bonded in a linear geometry to one Mg and one Ru atom.
DOI: 10.17188/1758405
title: Materials Data on Nd4Rh by Materials Project

description: Nd4Rh crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Nd6Rh cluster and one Nd3Rh sheet oriented in the (0, 1, 0) direction. In the Nd6Rh cluster, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.94 Å. In the second Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.89 Å. In the fourth Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms. In the Nd3Rh sheet, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.88 Å) and one longer (2.96 Å) Nd–Rh bond lengths. In the third Nd site, Nd is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.92 Å. In the fourth Nd site, Nd is bonded in a water-like geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms.
DOI: 10.17188/1758406
title: Materials Data on Eu2ZnPtO6 by Materials Project

description: Eu2PtZnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.80 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are two shorter (2.03 Å) and four longer (2.04 Å) Pt–O bond lengths. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. There are a spread of Zn–O bond distances ranging from 2.07–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Eu3+, one Pt4+, and one Zn2+ atom to form distorted corner-sharing OEu2ZnPt tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Pt4+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Pt4+, and one Zn2+ atom.
DOI: 10.17188/1758408
title: Materials Data on NaSrCrF6 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: 10.17188/1758409
title: Materials Data on Al9Co2Ni by Materials Project

description: Co2NiAl9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.61 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.50–2.63 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.63 Å. There are ten inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co and three Al atoms. There are one shorter (2.50 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to one Co, two equivalent Ni, and one Al atom. The Al–Al bond length is 2.83 Å. In the fourth Al site, Al is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to three Co, one Ni, and seven Al atoms. All Al–Al bond lengths are 2.67 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Co, one Ni, and one Al atom. The Al–Al bond length is 2.88 Å. In the seventh Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Co, one Ni, and one Al atom. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms.
DOI: 10.17188/1758410
title: Materials Data on La3Sn13Ru4 by Materials Project

description: La3Ru4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All La–Ru bond lengths are 3.49 Å. There are four shorter (3.45 Å) and eight longer (3.50 Å) La–Sn bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two equivalent Ru, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.
DOI: 10.17188/1758411
title: Materials Data on Ca4RuN4 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: 10.17188/1758412
title: Materials Data on Rb3NbF12 by Materials Project

description: Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four fluorine-19 molecules and one Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.90 Å) and four longer (3.03 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four F atoms. There are two shorter (2.64 Å) and two longer (2.82 Å) Rb–F bond lengths. Nb is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.05 Å) and four longer (2.08 Å) Nb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one Nb atom. In the second F site, F is bonded in a 1-coordinate geometry to two Rb and one Nb atom.
DOI: 10.17188/1758413
title: Materials Data on Dy3Hg by Materials Project

description: Dy3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to eight equivalent Dy and four equivalent Hg atoms to form distorted DyDy8Hg4 cuboctahedra that share corners with twelve equivalent DyDy8Hg4 cuboctahedra, edges with eight equivalent HgDy12 cuboctahedra, edges with sixteen equivalent DyDy8Hg4 cuboctahedra, faces with four equivalent HgDy12 cuboctahedra, and faces with fourteen equivalent DyDy8Hg4 cuboctahedra. All Dy–Dy bond lengths are 3.40 Å. All Dy–Hg bond lengths are 3.40 Å. Hg is bonded to twelve equivalent Dy atoms to form HgDy12 cuboctahedra that share corners with twelve equivalent HgDy12 cuboctahedra, edges with twenty-four equivalent DyDy8Hg4 cuboctahedra, faces with six equivalent HgDy12 cuboctahedra, and faces with twelve equivalent DyDy8Hg4 cuboctahedra.
DOI: 10.17188/1758414
title: Materials Data on Zr3(UGe2)2 by Materials Project

description: U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.
DOI: 10.17188/1758415
title: Materials Data on Mg5Pb by Materials Project

description: Mg5Pb crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg5Pb sheet oriented in the (0, 0, 1) direction. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the second Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.29 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to one Pb atom. The Mg–Pb bond length is 3.25 Å. In the fourth Mg site, Mg is bonded to two equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb2 cuboctahedra. Both Mg–Pb bond lengths are 3.26 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Pb atoms. There are one shorter (3.18 Å) and two longer (3.24 Å) Mg–Pb bond lengths. Pb is bonded in a 12-coordinate geometry to ten Mg atoms.
DOI: 10.17188/1758416
title: Materials Data on TeO2 by Materials Project

description: TeO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.99 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.50 Å. In the third Te4+ site, Te4+ is bonded to five O2- atoms to form edge-sharing TeO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.16 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to three Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Te4+ atoms.
DOI: 10.17188/1758417
title: Materials Data on BaCu2(AgO2)2 by Materials Project

description: BaCu2(AgO2)2 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.78 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.07 Å. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.79 Å. O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ag1+, and one Cu2+ atom.
DOI: 10.17188/1758418
title: Materials Data on AlV2O4 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: 10.17188/1758419
title: Materials Data on NaTl2Pt by Materials Project

description: NaPtTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaPtTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Tl atoms. Both Na–Tl bond lengths are 3.16 Å. Pt is bonded in a linear geometry to two equivalent Tl atoms. Both Pt–Tl bond lengths are 2.60 Å. Tl is bonded in a linear geometry to one Na and one Pt atom.
DOI: 10.17188/1758420
title: Materials Data on HgBi3 by Materials Project

description: HgBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Hg–Bi bond lengths are 3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Hg and eight Bi atoms to form a mixture of distorted corner, edge, and face-sharing BiHg4Bi8 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.61 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.
DOI: 10.17188/1758421
title: Materials Data on Cs2EuCuCl6 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