cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309331
title: Materials Data on Ag2GePbS4 by Materials Project

description: Ag2PbGeS4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.07 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.92–3.60 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Ag1+, two equivalent Pb2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one Ge4+ atom.
DOI: 10.17188/1309332
title: Materials Data on BPt3 by Materials Project

description: Pt3B crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Pt3B ribbons oriented in the (0, 0, 1) direction. Pt is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Pt–B bond lengths are 2.18 Å. B is bonded to six equivalent Pt atoms to form distorted face-sharing BPt6 pentagonal pyramids.
DOI: 10.17188/1309333
title: Materials Data on KNaPrTaO5 by Materials Project

description: KNaPrTaO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.92 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent TaO5 trigonal bipyramids. There are one shorter (2.28 Å) and four longer (2.34 Å) Na–O bond lengths. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.52 Å. Ta5+ is bonded to five O2- atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.86 Å) and four longer (1.98 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Pr3+, and one Ta5+ atom.
DOI: 10.17188/1309334
title: Materials Data on Ag2F3 by Materials Project

description: Ag2F3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ag+1.50+ is bonded to six equivalent F1- atoms to form a mixture of edge, face, and corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are three shorter (2.32 Å) and three longer (2.41 Å) Ag–F bond lengths. F1- is bonded to four equivalent Ag+1.50+ atoms to form a mixture of distorted edge and corner-sharing FAg4 trigonal pyramids.
DOI: 10.17188/1309335
title: Materials Data on Er2MgAl by Materials Project

description: MgEr2Al 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 Er atoms. All Mg–Er bond lengths are 3.16 Å. Er is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Er–Al bond lengths are 3.16 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309336
title: Materials Data on LiPm2Ga by Materials Project

description: LiPm2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. All Li–Pm bond lengths are 3.20 Å. Pm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Pm–Ga bond lengths are 3.20 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1309337
title: Materials Data on Pm2LiAl by Materials Project

description: LiPm2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. All Li–Pm bond lengths are 3.23 Å. Pm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Pm–Al bond lengths are 3.23 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1309338
title: Materials Data on Ca2SbAu by Materials Project

description: Ca2AuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent Sb3- atoms. All Ca–Au bond lengths are 3.26 Å. All Ca–Sb bond lengths are 3.26 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Ca2+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Ca2+ atoms.
DOI: 10.17188/1309339
title: Materials Data on LiTaRh2 by Materials Project

description: LiTaRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Li–Rh bond lengths are 2.66 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ta–Rh bond lengths are 2.66 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ta atoms.
DOI: 10.17188/1309340
title: Materials Data on PuBi3 by Materials Project

description: PuBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Bi atoms to form PuBi12 cuboctahedra that share corners with four equivalent PuBi12 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with sixteen equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with eight equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.59 Å) Pu–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Pu and eight Bi atoms to form distorted BiPu4Bi8 cuboctahedra that share corners with twelve equivalent BiPu4Bi8 cuboctahedra, edges with eight equivalent PuBi12 cuboctahedra, edges with eight equivalent BiPu4Bi8 cuboctahedra, faces with four equivalent PuBi12 cuboctahedra, and faces with ten equivalent BiPu4Bi8 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.59 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Pu and eight equivalent Bi atoms.
DOI: 10.17188/1309341
title: Materials Data on AlFeRh2 by Materials Project

description: Rh2FeAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.61 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Al atoms. All Rh–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309342
title: Materials Data on LiTaRu2 by Materials Project

description: LiTaRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Li–Ru bond lengths are 2.65 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.65 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ta atoms.
DOI: 10.17188/1309343
title: Materials Data on LiPm2Ge by Materials Project

description: LiPm2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. All Li–Pm bond lengths are 3.16 Å. Pm is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Pm–Ge bond lengths are 3.16 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1309344
title: Materials Data on LiPm2Ir by Materials Project

description: LiPm2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. All Li–Pm bond lengths are 3.10 Å. Pm is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Pm–Ir bond lengths are 3.10 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1309345
title: Materials Data on KNaSmTaO5 by Materials Project

description: KNaSmTaO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.89 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent TaO5 trigonal bipyramids. There are one shorter (2.30 Å) and four longer (2.31 Å) Na–O bond lengths. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sm–O bond lengths are 2.48 Å. Ta5+ is bonded to five O2- atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.87 Å) and four longer (1.97 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Ta5+ atom to form a mixture of distorted corner and edge-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 12°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Sm3+, and one Ta5+ atom.
DOI: 10.17188/1309346
title: Materials Data on Ti2MnBe by Materials Project

description: BeTi2Mn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms. All Be–Ti bond lengths are 2.57 Å. Ti is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Mn atoms. All Ti–Mn bond lengths are 2.57 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.17188/1309347
title: Materials Data on Eu2Al2O5 by Materials Project

description: Eu2Al2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.55 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent AlO5 square pyramids. There are four shorter (2.67 Å) and eight longer (2.81 Å) Eu–O bond lengths. Al3+ is bonded to five O2- atoms to form AlO5 square pyramids that share corners with five equivalent AlO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There is one shorter (1.82 Å) and four longer (1.91 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Eu2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Al3+ atoms.
DOI: 10.17188/1309348
title: Materials Data on CaInAu2 by Materials Project

description: CaAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ca–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent In atoms. All Au–In bond lengths are 3.06 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309349
title: Materials Data on TiZnRh2 by Materials Project

description: TiRh2Zn 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 eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.65 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Rh–Zn bond lengths are 2.65 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309350
title: Materials Data on BaSb2F12 by Materials Project

description: BaSb2F12 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BaSb2F12 sheet oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.71–3.27 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. In the second Sb5+ site, Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.88–1.98 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ba2+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb5+ atom. In the twelfth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb5+ atom.
DOI: 10.17188/1309351
title: Materials Data on LiLu2Os by Materials Project

description: LiLu2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Lu atoms. All Li–Lu bond lengths are 2.94 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Lu–Os bond lengths are 2.94 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1309352
title: Materials Data on LiLu2Ir by Materials Project

description: LiLu2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. All Li–Lu bond lengths are 2.95 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Lu–Ir bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1309353
title: Materials Data on Ho2RuRh by Materials Project

description: Ho2RuRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Ho–Ru bond lengths are 2.94 Å. All Ho–Rh bond lengths are 2.94 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1309354
title: Materials Data on AcHgAu2 by Materials Project

description: AcAu2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ac–Au bond lengths are 3.22 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Hg atoms. All Au–Hg bond lengths are 3.22 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309355
title: Materials Data on ErCl2 by Materials Project

description: ErCl2 is trigonal omega-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded to six equivalent Cl atoms to form a mixture of corner and edge-sharing ErCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two shorter (2.71 Å) and four longer (2.73 Å) Er–Cl bond lengths. Cl is bonded in a 3-coordinate geometry to three equivalent Er atoms.
DOI: 10.17188/1309356
title: Materials Data on LiTmTl2 by Materials Project

description: LiTmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.16 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.16 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tm atoms.
DOI: 10.17188/1309357
title: Materials Data on PaGaCu2 by Materials Project

description: PaCu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent Ga atoms. All Pa–Cu bond lengths are 2.82 Å. All Pa–Ga bond lengths are 3.25 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.82 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Pa and eight equivalent Cu atoms.
DOI: 10.17188/1309358
title: Materials Data on PaCdAu2 by Materials Project

description: PaAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pa–Au bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Cd atoms. All Au–Cd bond lengths are 3.04 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309359
title: Materials Data on PaCdPt2 by Materials Project

description: PaPt2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Pa–Pt bond lengths are 2.98 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Cd atoms. All Pt–Cd bond lengths are 2.98 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.
DOI: 10.17188/1309360
title: Materials Data on PaO3 by Materials Project

description: PaO3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa is bonded to twelve O atoms to form a mixture of distorted corner, edge, and face-sharing PaO12 cuboctahedra. There are eight shorter (2.40 Å) and four longer (2.60 Å) Pa–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Pa atoms to form a mixture of corner and edge-sharing OPa4 tetrahedra. In the second O site, O is bonded in a square co-planar geometry to four equivalent Pa atoms.
DOI: 10.17188/1309361
title: Materials Data on PaGaFe2 by Materials Project

description: PaFe2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All Pa–Fe bond lengths are 2.71 Å. All Pa–Ga bond lengths are 3.13 Å. Fe is bonded in a distorted body-centered cubic geometry to four equivalent Pa and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.71 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Pa and eight equivalent Fe atoms.
DOI: 10.17188/1309362
title: Materials Data on PaGaNi2 by Materials Project

description: PaNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Pa–Ni bond lengths are 2.76 Å. All Pa–Ga bond lengths are 3.18 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.76 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Pa and eight equivalent Ni atoms.
DOI: 10.17188/1309363
title: Materials Data on Hf2ReIr by Materials Project

description: Hf2ReIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ir atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Ir bond lengths are 2.83 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1309364
title: Materials Data on Ir2S3 by Materials Project

description: Ir2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent S2- atoms to form a mixture of edge, corner, and face-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.37 Å) and three longer (2.41 Å) Ir–S bond lengths. S2- is bonded to four equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing SIr4 trigonal pyramids.
DOI: 10.17188/1309365
title: Materials Data on PaGaTc2 by Materials Project

description: PaTc2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Pa–Tc bond lengths are 2.83 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Pa3+ and four equivalent Ga3+ atoms. All Tc–Ga bond lengths are 2.83 Å. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.
DOI: 10.17188/1309366
title: Materials Data on HoMgZn2 by Materials Project

description: MgHoZn2 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 Zn atoms. All Mg–Zn bond lengths are 2.96 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ho–Zn bond lengths are 2.96 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ho atoms.