cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313741
title: Materials Data on Zn3In by Materials Project

description: Zn3In crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six equivalent Zn and four equivalent In atoms. There are two shorter (2.82 Å) and four longer (2.83 Å) Zn–Zn bond lengths. There are two shorter (2.98 Å) and two longer (3.03 Å) Zn–In bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Zn and four equivalent In atoms. There are one shorter (2.76 Å) and two longer (2.86 Å) Zn–Zn bond lengths. There are a spread of Zn–In bond distances ranging from 2.99–3.07 Å. In is bonded to twelve Zn atoms to form a mixture of face and corner-sharing InZn12 cuboctahedra.
DOI: 10.17188/1313742
title: Materials Data on Zr5Al3C by Materials Project

description: Zr5Al3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to two equivalent Zr and six equivalent Al atoms. Both Zr–Zr bond lengths are 2.81 Å. All Zr–Al bond lengths are 2.91 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Al and two equivalent C atoms. There are a spread of Zr–Al bond distances ranging from 2.90–3.17 Å. Both Zr–C bond lengths are 2.34 Å. Al is bonded in a 9-coordinate geometry to nine Zr atoms. C is bonded to six equivalent Zr atoms to form face-sharing CZr6 octahedra.
DOI: 10.17188/1313743
title: Materials Data on YbMgIn2 by Materials Project

description: MgYbIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Mg–In bond lengths are 3.20 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Yb–In bond lengths are 3.20 Å. In is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Yb atoms.
DOI: 10.17188/1313744
title: Materials Data on ZrGaPd2 by Materials Project

description: Pd2ZrGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Zr–Pd bond lengths are 2.80 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.80 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1313745
title: Materials Data on VPtO3 by Materials Project

description: VPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent PtO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.91 Å. Pt2+ is bonded to twelve equivalent O2- atoms to form PtO12 cuboctahedra that share corners with twelve equivalent PtO12 cuboctahedra, faces with six equivalent PtO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Pt–O bond lengths are 2.70 Å. O2- is bonded in a linear geometry to two equivalent V4+ and four equivalent Pt2+ atoms.
DOI: 10.17188/1313746
title: Materials Data on Tl3Hg by Materials Project

description: HgTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Tl atoms to form HgTl12 cuboctahedra that share corners with twelve equivalent HgTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Hg4 cuboctahedra, faces with six equivalent HgTl12 cuboctahedra, and faces with twelve equivalent TlTl8Hg4 cuboctahedra. All Hg–Tl bond lengths are 3.48 Å. Tl is bonded to four equivalent Hg and eight equivalent Tl atoms to form distorted TlTl8Hg4 cuboctahedra that share corners with twelve equivalent TlTl8Hg4 cuboctahedra, edges with eight equivalent HgTl12 cuboctahedra, edges with sixteen equivalent TlTl8Hg4 cuboctahedra, faces with four equivalent HgTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Hg4 cuboctahedra. All Tl–Tl bond lengths are 3.48 Å.
DOI: 10.17188/1313747
title: Materials Data on ZrSiPt by Materials Project

description: ZrPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are three shorter (2.78 Å) and two longer (2.86 Å) Zr–Si bond lengths. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.50–2.58 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Pt2+ atoms.
DOI: 10.17188/1313748
title: Materials Data on CsTbS2 by Materials Project

description: CsTbS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.48 Å. Tb3+ is bonded to six equivalent S2- atoms to form edge-sharing TbS6 octahedra. All Tb–S bond lengths are 2.80 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing SCs3Tb3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
DOI: 10.17188/1313775
title: Materials Data on Na2LiGaAs2 by Materials Project

description: Na2LiGaAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Na–As bond distances ranging from 3.04–3.21 Å. In the second Na1+ site, Na1+ is bonded to five As3- atoms to form distorted NaAs5 trigonal bipyramids that share corners with six equivalent LiAs4 tetrahedra, corners with six equivalent GaAs4 tetrahedra, corners with four equivalent NaAs5 trigonal bipyramids, edges with two equivalent LiAs4 tetrahedra, edges with two equivalent GaAs4 tetrahedra, and edges with two equivalent NaAs5 trigonal bipyramids. There are a spread of Na–As bond distances ranging from 3.08–3.20 Å. Li1+ is bonded to four As3- atoms to form LiAs4 tetrahedra that share corners with two equivalent LiAs4 tetrahedra, corners with two equivalent GaAs4 tetrahedra, corners with six equivalent NaAs5 trigonal bipyramids, an edgeedge with one LiAs4 tetrahedra, edges with three equivalent GaAs4 tetrahedra, and edges with two equivalent NaAs5 trigonal bipyramids. There are two shorter (2.65 Å) and two longer (2.68 Å) Li–As bond lengths. Ga3+ is bonded to four As3- atoms to form GaAs4 tetrahedra that share corners with two equivalent LiAs4 tetrahedra, corners with two equivalent GaAs4 tetrahedra, corners with six equivalent NaAs5 trigonal bipyramids, an edgeedge with one GaAs4 tetrahedra, edges with three equivalent LiAs4 tetrahedra, and edges with two equivalent NaAs5 trigonal bipyramids. There are two shorter (2.55 Å) and two longer (2.57 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to five Na1+, two equivalent Li1+, and two equivalent Ga3+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to five Na1+, two equivalent Li1+, and two equivalent Ga3+ atoms.
DOI: 10.17188/1313776
title: Materials Data on TcAs3 by Materials Project

description: TcAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc1+ is bonded to twelve As+0.33- atoms to form distorted TcAs12 cuboctahedra that share corners with four equivalent TcAs12 cuboctahedra, corners with eight equivalent AsTc4As8 cuboctahedra, edges with eight equivalent TcAs12 cuboctahedra, faces with four equivalent TcAs12 cuboctahedra, and faces with six equivalent AsTc4As8 cuboctahedra. There are eight shorter (2.79 Å) and four longer (3.11 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded to four equivalent Tc1+ and eight equivalent As+0.33- atoms to form AsTc4As8 cuboctahedra that share corners with four equivalent AsTc4As8 cuboctahedra, corners with eight equivalent TcAs12 cuboctahedra, edges with eight equivalent AsTc4As8 cuboctahedra, faces with four equivalent AsTc4As8 cuboctahedra, and faces with six equivalent TcAs12 cuboctahedra.
DOI: 10.17188/1313777
title: Materials Data on V2MoRu by Materials Project

description: V2MoRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Ru atoms. All V–Mo bond lengths are 2.63 Å. All V–Ru bond lengths are 2.63 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent V atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1313778
title: Materials Data on V2MoOs by Materials Project

description: V2MoOs is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Os atoms. All V–Mo bond lengths are 2.64 Å. All V–Os bond lengths are 2.64 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent V atoms. Os is bonded in a body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1313779
title: Materials Data on Ta2TcW by Materials Project

description: Ta2WTc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Tc atoms. All Ta–W bond lengths are 2.79 Å. All Ta–Tc bond lengths are 2.79 Å. W is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Tc is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1313780
title: Materials Data on Sr2SmSbO6 by Materials Project

description: Sr2SmSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.99 Å. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There are four shorter (2.31 Å) and two longer (2.32 Å) Sm–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 28–30°. There are two shorter (2.02 Å) and four longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Sm3+, and one Sb5+ atom to form distorted corner-sharing OSr2SmSb tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Sm3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Sm3+, and one Sb5+ atom.
DOI: 10.17188/1313781
title: Materials Data on Ti2CuTc by Materials Project

description: Ti2TcCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Cu atoms. All Ti–Tc bond lengths are 2.68 Å. All Ti–Cu bond lengths are 2.68 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1313782
title: Materials Data on TiPt3 by Materials Project

description: Pt3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to twelve equivalent Pt+0.67- atoms to form TiPt12 cuboctahedra that share corners with six equivalent TiPt12 cuboctahedra, corners with twelve equivalent PtTi4Pt8 cuboctahedra, edges with eighteen equivalent PtTi4Pt8 cuboctahedra, faces with eight equivalent TiPt12 cuboctahedra, and faces with twelve equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.81 Å) Ti–Pt bond lengths. Pt+0.67- is bonded to four equivalent Ti2+ and eight equivalent Pt+0.67- atoms to form distorted PtTi4Pt8 cuboctahedra that share corners with four equivalent TiPt12 cuboctahedra, corners with fourteen equivalent PtTi4Pt8 cuboctahedra, edges with six equivalent TiPt12 cuboctahedra, edges with twelve equivalent PtTi4Pt8 cuboctahedra, faces with four equivalent TiPt12 cuboctahedra, and faces with sixteen equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.82 Å) Pt–Pt bond lengths.
DOI: 10.17188/1313783
title: Materials Data on TaBeO3 by Materials Project

description: BeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent TaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.71 Å. Ta4+ is bonded to twelve equivalent O2- atoms to form TaO12 cuboctahedra that share corners with twelve equivalent TaO12 cuboctahedra, faces with six equivalent TaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ta–O bond lengths are 2.42 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ta4+ atoms.
DOI: 10.17188/1313784
title: Materials Data on TaGeRh by Materials Project

description: TaRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Ta–Rh bond distances ranging from 2.96–3.07 Å. There are three shorter (2.72 Å) and two longer (2.80 Å) Ta–Ge bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Rh, and four equivalent Ge atoms. Both Rh–Rh bond lengths are 2.85 Å. There are a spread of Rh–Ge bond distances ranging from 2.46–2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Rh atoms.
DOI: 10.17188/1313785
title: Materials Data on Zr3As2 by Materials Project

description: Zr3As2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five As3- atoms to form a mixture of distorted edge, face, and corner-sharing ZrAs5 trigonal bipyramids. There are a spread of Zr–As bond distances ranging from 2.74–3.16 Å. In the second Zr2+ site, Zr2+ is bonded to five As3- atoms to form a mixture of edge, face, and corner-sharing ZrAs5 square pyramids. There are a spread of Zr–As bond distances ranging from 2.72–2.79 Å. In the third Zr2+ site, Zr2+ is bonded to five As3- atoms to form a mixture of distorted edge and corner-sharing ZrAs5 trigonal bipyramids. There are a spread of Zr–As bond distances ranging from 2.75–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to eight Zr2+ atoms. In the second As3- site, As3- is bonded to seven Zr2+ atoms to form a mixture of distorted edge and corner-sharing AsZr7 pentagonal bipyramids.
DOI: 10.17188/1313786
title: Materials Data on Tb3FeB7 by Materials Project

description: Tb3FeB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.73 Å. In the second Tb4+ site, Tb4+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.64–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are six shorter (2.27 Å) and four longer (2.28 Å) Fe–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.71 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb4+ and three B+2.14- atoms. There is one shorter (1.91 Å) and two longer (1.96 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb4+, two equivalent Fe3+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longer (1.81 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Fe3+, and three B+2.14- atoms. The B–B bond length is 1.99 Å.
DOI: 10.17188/1313787
title: Materials Data on V2MoW by Materials Project

description: V2WMo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Mo atoms. All V–W bond lengths are 2.67 Å. All V–Mo bond lengths are 2.67 Å. W is bonded in a body-centered cubic geometry to eight equivalent V atoms. Mo is bonded in a body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1313788
title: Materials Data on Tc3H by Materials Project

description: Tc3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tc+0.33- sites. In the first Tc+0.33- site, Tc+0.33- is bonded in a 8-coordinate geometry to four equivalent Tc+0.33- and four equivalent H1+ atoms. All Tc–Tc bond lengths are 2.56 Å. All Tc–H bond lengths are 2.56 Å. In the second Tc+0.33- site, Tc+0.33- is bonded in a body-centered cubic geometry to eight equivalent Tc+0.33- atoms. H1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Tc+0.33- atoms.
DOI: 10.17188/1313789
title: Materials Data on Ti2VIr by Materials Project

description: Ti2VIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Ir atoms. All Ti–V bond lengths are 2.69 Å. All Ti–Ir bond lengths are 2.69 Å. V is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Ir atoms. All V–Ir bond lengths are 3.11 Å. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent V atoms.
DOI: 10.17188/1313790
title: Materials Data on Tm2ZnGa by Materials Project

description: Tm2ZnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ga atoms. All Tm–Zn bond lengths are 3.05 Å. All Tm–Ga bond lengths are 3.05 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1313791
title: Materials Data on Tb2ReC2 by Materials Project

description: Tb2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to five C atoms to form a mixture of edge and corner-sharing TbC5 square pyramids. There are a spread of Tb–C bond distances ranging from 2.51–2.59 Å. In the second Tb site, Tb is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Tb–C bond distances ranging from 2.54–2.71 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Tb and one Re atom to form a mixture of edge and corner-sharing CTb5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°. In the second C site, C is bonded to four Tb and two equivalent Re atoms to form a mixture of edge and corner-sharing CTb4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–39°.
DOI: 10.17188/1313792
title: Materials Data on Sr3Bi by Materials Project

description: Sr3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a distorted see-saw-like geometry to four equivalent Bi atoms. There are two shorter (3.83 Å) and two longer (3.89 Å) Sr–Bi bond lengths. Bi is bonded to twelve equivalent Sr atoms to form a mixture of face and corner-sharing BiSr12 cuboctahedra.
DOI: 10.17188/1313793
title: Materials Data on Xe by Materials Project

description: Xe is Copper structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three xenon molecules. Xe is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1313794
title: Materials Data on TmAlAu2 by Materials Project

description: TmAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tm–Au bond lengths are 2.93 Å. Au is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Al atoms. All Au–Al bond lengths are 2.93 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1313795
title: Materials Data on Tm2ZnHg by Materials Project

description: Tm2HgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Tm–Hg bond lengths are 3.13 Å. All Tm–Zn bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1313796
title: Materials Data on Ti2ReRu by Materials Project

description: Ti2ReRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ru atoms. All Ti–Re bond lengths are 2.69 Å. All Ti–Ru bond lengths are 2.69 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.