cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1314454
title: Materials Data on NdDy3 by Materials Project

description: Dy3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the second Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the third Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. Nd is bonded to twelve Dy atoms to form NdDy12 cuboctahedra that share corners with six equivalent NdDy12 cuboctahedra, corners with twelve DyNd4Dy8 cuboctahedra, edges with eighteen DyNd4Dy8 cuboctahedra, faces with eight equivalent NdDy12 cuboctahedra, and faces with twelve DyNd4Dy8 cuboctahedra.
DOI: 10.17188/1314455
title: Materials Data on OsRu3 by Materials Project

description: OsRu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os is bonded to twelve equivalent Ru atoms to form OsRu12 cuboctahedra that share corners with six equivalent OsRu12 cuboctahedra, corners with twelve equivalent RuOs4Ru8 cuboctahedra, edges with eighteen equivalent RuOs4Ru8 cuboctahedra, faces with eight equivalent OsRu12 cuboctahedra, and faces with twelve equivalent RuOs4Ru8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.74 Å) Os–Ru bond lengths. Ru is bonded to four equivalent Os and eight equivalent Ru atoms to form RuOs4Ru8 cuboctahedra that share corners with four equivalent OsRu12 cuboctahedra, corners with fourteen equivalent RuOs4Ru8 cuboctahedra, edges with six equivalent OsRu12 cuboctahedra, edges with twelve equivalent RuOs4Ru8 cuboctahedra, faces with four equivalent OsRu12 cuboctahedra, and faces with sixteen equivalent RuOs4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å.
DOI: 10.17188/1314456
title: Materials Data on SBr3 by Materials Project

description: SBr(Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Br sheets oriented in the (0, 0, 1) direction and two SBr sheets oriented in the (0, 0, 1) direction. In each Br sheet, Br is bonded in a square co-planar geometry to four equivalent Br atoms. All Br–Br bond lengths are 2.75 Å. In each SBr sheet, S is bonded in a square co-planar geometry to four equivalent Br atoms. All S–Br bond lengths are 2.75 Å. Br is bonded in a square co-planar geometry to four equivalent S atoms.
DOI: 10.17188/1314457
title: Materials Data on S3Br by Materials Project

description: (S)2SBr crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two S sheets oriented in the (0, 0, 1) direction and two SBr sheets oriented in the (0, 0, 1) direction. In each S sheet, S+1.67- is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All S–S bond lengths are 2.50 Å. In each SBr sheet, S+1.67- is bonded in a square co-planar geometry to four equivalent Br5+ atoms. All S–Br bond lengths are 2.50 Å. Br5+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms.
DOI: 10.17188/1314458
title: Materials Data on RuRh3 by Materials Project

description: RuRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Rh atoms to form RuRh12 cuboctahedra that share corners with twelve equivalent RuRh12 cuboctahedra, edges with twenty-four equivalent RhRu4Rh8 cuboctahedra, faces with six equivalent RuRh12 cuboctahedra, and faces with twelve equivalent RhRu4Rh8 cuboctahedra. All Ru–Rh bond lengths are 2.72 Å. Rh is bonded to four equivalent Ru and eight equivalent Rh atoms to form RhRu4Rh8 cuboctahedra that share corners with twelve equivalent RhRu4Rh8 cuboctahedra, edges with eight equivalent RuRh12 cuboctahedra, edges with sixteen equivalent RhRu4Rh8 cuboctahedra, faces with four equivalent RuRh12 cuboctahedra, and faces with fourteen equivalent RhRu4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.72 Å.
DOI: 10.17188/1314459
title: Materials Data on HoO by Materials Project

description: HoO crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to five equivalent O atoms to form a mixture of edge and corner-sharing HoO5 trigonal bipyramids. There are three shorter (2.29 Å) and two longer (2.41 Å) Ho–O bond lengths. O is bonded to five equivalent Ho atoms to form a mixture of edge and corner-sharing OHo5 trigonal bipyramids.
DOI: 10.17188/1314460
title: Materials Data on RuRh3 by Materials Project

description: RuRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Rh atoms to form RuRh12 cuboctahedra that share corners with six equivalent RuRh12 cuboctahedra, corners with twelve equivalent RhRu4Rh8 cuboctahedra, edges with eighteen equivalent RhRu4Rh8 cuboctahedra, faces with eight equivalent RuRh12 cuboctahedra, and faces with twelve equivalent RhRu4Rh8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.74 Å) Ru–Rh bond lengths. Rh is bonded to four equivalent Ru and eight equivalent Rh atoms to form RhRu4Rh8 cuboctahedra that share corners with four equivalent RuRh12 cuboctahedra, corners with fourteen equivalent RhRu4Rh8 cuboctahedra, edges with six equivalent RuRh12 cuboctahedra, edges with twelve equivalent RhRu4Rh8 cuboctahedra, faces with four equivalent RuRh12 cuboctahedra, and faces with sixteen equivalent RhRu4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å.
DOI: 10.17188/1314461
title: Materials Data on Mn2S3 by Materials Project

description: Mn2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing MnS6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are three shorter (2.29 Å) and three longer (2.35 Å) Mn–S bond lengths. S2- is bonded to four equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SMn4 trigonal pyramids.
DOI: 10.17188/1314462
title: Materials Data on Ir3Ru by Materials Project

description: RuIr3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru is bonded to twelve Ir atoms to form RuIr12 cuboctahedra that share corners with four equivalent RuIr12 cuboctahedra, corners with eight equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen equivalent IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ru–Ir bond lengths are 2.73 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Ru and eight Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with twelve equivalent IrIr8Ru4 cuboctahedra, edges with eight equivalent RuIr12 cuboctahedra, edges with sixteen IrIr8Ru4 cuboctahedra, faces with four equivalent RuIr12 cuboctahedra, and faces with fourteen IrIr8Ru4 cuboctahedra. All Ir–Ir bond lengths are 2.73 Å. In the second Ir site, Ir is bonded to four equivalent Ru and eight equivalent Ir atoms to form IrIr8Ru4 cuboctahedra that share corners with four equivalent IrIr8Ru4 cuboctahedra, corners with eight equivalent RuIr12 cuboctahedra, edges with twenty-four IrIr8Ru4 cuboctahedra, faces with six equivalent RuIr12 cuboctahedra, and faces with twelve IrIr8Ru4 cuboctahedra.
DOI: 10.17188/1314463
title: Materials Data on RuAu3 by Materials Project

description: RuAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ru3+ is bonded to twelve Au1- atoms to form RuAu12 cuboctahedra that share corners with four equivalent RuAu12 cuboctahedra, corners with eight equivalent AuRu4Au8 cuboctahedra, edges with eight equivalent RuAu12 cuboctahedra, edges with sixteen equivalent AuRu4Au8 cuboctahedra, faces with four equivalent RuAu12 cuboctahedra, and faces with fourteen AuRu4Au8 cuboctahedra. There are eight shorter (2.86 Å) and four longer (2.95 Å) Ru–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Ru3+ and eight Au1- atoms to form distorted AuRu4Au8 cuboctahedra that share corners with twelve equivalent AuRu4Au8 cuboctahedra, edges with eight equivalent RuAu12 cuboctahedra, edges with sixteen AuRu4Au8 cuboctahedra, faces with four equivalent RuAu12 cuboctahedra, and faces with fourteen AuRu4Au8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.95 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded to four equivalent Ru3+ and eight equivalent Au1- atoms to form AuRu4Au8 cuboctahedra that share corners with four equivalent AuRu4Au8 cuboctahedra, corners with eight equivalent RuAu12 cuboctahedra, edges with twenty-four AuRu4Au8 cuboctahedra, faces with six equivalent RuAu12 cuboctahedra, and faces with twelve AuRu4Au8 cuboctahedra.
DOI: 10.17188/1314464
title: Materials Data on RuAu3 by Materials Project

description: RuAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru3+ is bonded to twelve equivalent Au1- atoms to form RuAu12 cuboctahedra that share corners with six equivalent RuAu12 cuboctahedra, corners with twelve equivalent AuRu4Au8 cuboctahedra, edges with eighteen equivalent AuRu4Au8 cuboctahedra, faces with eight equivalent RuAu12 cuboctahedra, and faces with twelve equivalent AuRu4Au8 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.92 Å) Ru–Au bond lengths. Au1- is bonded to four equivalent Ru3+ and eight equivalent Au1- atoms to form distorted AuRu4Au8 cuboctahedra that share corners with four equivalent RuAu12 cuboctahedra, corners with fourteen equivalent AuRu4Au8 cuboctahedra, edges with six equivalent RuAu12 cuboctahedra, edges with twelve equivalent AuRu4Au8 cuboctahedra, faces with four equivalent RuAu12 cuboctahedra, and faces with sixteen equivalent AuRu4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.88–2.96 Å.
DOI: 10.17188/1314465
title: Materials Data on Rh3Pb by Materials Project

description: Rh3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with twelve equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.90 Å) Rh–Rh bond lengths. All Rh–Pb bond lengths are 2.82 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with four equivalent RhRh8Pb4 cuboctahedra, corners with eight equivalent PbRh12 cuboctahedra, edges with twenty-four RhRh8Pb4 cuboctahedra, faces with six equivalent PbRh12 cuboctahedra, and faces with twelve RhRh8Pb4 cuboctahedra. All Rh–Pb bond lengths are 2.90 Å. Pb is bonded to twelve Rh atoms to form PbRh12 cuboctahedra that share corners with four equivalent PbRh12 cuboctahedra, corners with eight equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen equivalent RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra.
DOI: 10.17188/1314466
title: Materials Data on PtRh3 by Materials Project

description: Rh3Pt is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Pt atoms to form RhPt4Rh8 cuboctahedra that share corners with twelve equivalent RhPt4Rh8 cuboctahedra, edges with eight equivalent PtRh12 cuboctahedra, edges with sixteen equivalent RhPt4Rh8 cuboctahedra, faces with four equivalent PtRh12 cuboctahedra, and faces with fourteen equivalent RhPt4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.75 Å. All Rh–Pt bond lengths are 2.75 Å. Pt is bonded to twelve equivalent Rh atoms to form PtRh12 cuboctahedra that share corners with twelve equivalent PtRh12 cuboctahedra, edges with twenty-four equivalent RhPt4Rh8 cuboctahedra, faces with six equivalent PtRh12 cuboctahedra, and faces with twelve equivalent RhPt4Rh8 cuboctahedra.
DOI: 10.17188/1314467
title: Materials Data on Rh3Br by Materials Project

description: Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Rh and four equivalent Br atoms. All Rh–Rh bond lengths are 2.78 Å. All Rh–Br bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Br atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent RhRh8Br4 cuboctahedra, corners with eight equivalent BrRh12 cuboctahedra, edges with eight equivalent RhRh8Br4 cuboctahedra, faces with four equivalent RhRh8Br4 cuboctahedra, and faces with six equivalent BrRh12 cuboctahedra. All Rh–Br bond lengths are 2.90 Å. Br is bonded to twelve Rh atoms to form BrRh12 cuboctahedra that share corners with four equivalent BrRh12 cuboctahedra, corners with eight equivalent RhRh8Br4 cuboctahedra, edges with eight equivalent BrRh12 cuboctahedra, faces with four equivalent BrRh12 cuboctahedra, and faces with six equivalent RhRh8Br4 cuboctahedra.
DOI: 10.17188/1314468
title: Materials Data on Rh3Se by Materials Project

description: Rh3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.74–2.83 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve equivalent RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. Se is bonded to twelve Rh atoms to form SeRh12 cuboctahedra that share corners with six equivalent SeRh12 cuboctahedra, corners with twelve equivalent RhRh8Se4 cuboctahedra, edges with eighteen RhRh8Se4 cuboctahedra, faces with eight equivalent SeRh12 cuboctahedra, and faces with twelve RhRh8Se4 cuboctahedra.
DOI: 10.17188/1314475
title: Materials Data on PtRh3 by Materials Project

description: Rh3Pt is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Pt atoms to form RhPt4Rh8 cuboctahedra that share corners with twelve equivalent RhPt4Rh8 cuboctahedra, edges with eight equivalent PtRh12 cuboctahedra, edges with sixteen RhPt4Rh8 cuboctahedra, faces with four equivalent PtRh12 cuboctahedra, and faces with fourteen RhPt4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.74 Å. All Rh–Pt bond lengths are 2.74 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pt atoms to form RhPt4Rh8 cuboctahedra that share corners with four equivalent RhPt4Rh8 cuboctahedra, corners with eight equivalent PtRh12 cuboctahedra, edges with twenty-four RhPt4Rh8 cuboctahedra, faces with six equivalent PtRh12 cuboctahedra, and faces with twelve RhPt4Rh8 cuboctahedra. All Rh–Pt bond lengths are 2.74 Å. Pt is bonded to twelve Rh atoms to form PtRh12 cuboctahedra that share corners with four equivalent PtRh12 cuboctahedra, corners with eight equivalent RhPt4Rh8 cuboctahedra, edges with eight equivalent PtRh12 cuboctahedra, edges with sixteen equivalent RhPt4Rh8 cuboctahedra, faces with four equivalent PtRh12 cuboctahedra, and faces with fourteen RhPt4Rh8 cuboctahedra.
DOI: 10.17188/1314476
title: Materials Data on Rh2S3 by Materials Project

description: Rh2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing RhS6 octahedra. The corner-sharing octahedra tilt angles range from 47–61°. There are three shorter (2.37 Å) and three longer (2.41 Å) Rh–S bond lengths. S2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted corner and edge-sharing SRh4 trigonal pyramids.
DOI: 10.17188/1314477
title: Materials Data on Rh3F by Materials Project

description: Rh3F is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Rh and four equivalent F atoms to form a mixture of distorted edge, face, and corner-sharing RhRh4F4 tetrahedra. All Rh–Rh bond lengths are 2.61 Å. All Rh–F bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. F is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1314478
title: Materials Data on Nd2AgHg by Materials Project

description: Nd2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Nd–Ag bond lengths are 3.29 Å. All Nd–Hg bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1314479
title: Materials Data on HoB4Ru by Materials Project

description: HoRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.63–2.77 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.25–2.40 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ho3+, four equivalent Ru3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.
DOI: 10.17188/1314480
title: Materials Data on HoNiGe2 by Materials Project

description: HoNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ho–Ni bond lengths are 3.14 Å. There are a spread of Ho–Ge bond distances ranging from 3.12–3.23 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.29–2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å.
DOI: 10.17188/1314481
title: Materials Data on BaAsPd by Materials Project

description: BaPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of face and edge-sharing BaAs6Pd6 cuboctahedra. All Ba–Pd bond lengths are 3.50 Å. All Ba–As bond lengths are 3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Pd atoms.
DOI: 10.17188/1314482
title: Materials Data on Kr by Materials Project

description: Kr is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is zero-dimensional and consists of two krypton molecules. Kr is bonded in a 1-coordinate geometry to atoms.
DOI: 10.17188/1314483
title: Materials Data on Re3W by Materials Project

description: Re3W is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Re atoms to form WRe12 cuboctahedra that share corners with six equivalent WRe12 cuboctahedra, corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eighteen equivalent ReRe8W4 cuboctahedra, faces with eight equivalent WRe12 cuboctahedra, and faces with twelve equivalent ReRe8W4 cuboctahedra. There are six shorter (2.79 Å) and six longer (2.80 Å) W–Re bond lengths. Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with fourteen equivalent ReRe8W4 cuboctahedra, edges with six equivalent WRe12 cuboctahedra, edges with twelve equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with sixteen equivalent ReRe8W4 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.80 Å) Re–Re bond lengths.