cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316414
title: Materials Data on Li2Mg by Materials Project

description: MgLi2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded to nine Li and three Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with eight LiLi8Mg4 cuboctahedra, edges with ten MgLi8Mg4 cuboctahedra, faces with seven MgLi8Mg4 cuboctahedra, and faces with thirteen LiLi9Mg3 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.05–3.10 Å. There are one shorter (3.06 Å) and two longer (3.07 Å) Li–Mg bond lengths. In the second Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with six MgLi8Mg4 cuboctahedra, edges with twelve LiLi9Mg3 cuboctahedra, faces with six MgLi8Mg4 cuboctahedra, and faces with fourteen LiLi9Mg3 cuboctahedra. There are three shorter (3.08 Å) and two longer (3.10 Å) Li–Li bond lengths. There are two shorter (3.01 Å) and two longer (3.03 Å) Li–Mg bond lengths. In the third Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with six MgLi8Mg4 cuboctahedra, edges with twelve LiLi9Mg3 cuboctahedra, faces with nine MgLi8Mg4 cuboctahedra, and faces with eleven LiLi9Mg3 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.10 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.05–3.11 Å. In the fourth Li site, Li is bonded to seven Li and five Mg atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with eight MgLi8Mg4 cuboctahedra, edges with ten LiLi9Mg3 cuboctahedra, faces with eight MgLi8Mg4 cuboctahedra, and faces with twelve LiLi9Mg3 cuboctahedra. Both Li–Li bond lengths are 3.10 Å. There are a spread of Li–Mg bond distances ranging from 3.06–3.10 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Li and four Mg atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with three equivalent MgLi8Mg4 cuboctahedra, edges with fifteen LiLi9Mg3 cuboctahedra, faces with five MgLi8Mg4 cuboctahedra, and faces with fifteen LiLi9Mg3 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to eight Li and four Mg atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with three equivalent MgLi8Mg4 cuboctahedra, edges with fifteen LiLi9Mg3 cuboctahedra, faces with five MgLi8Mg4 cuboctahedra, and faces with fifteen LiLi9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å.
DOI: 10.17188/1316415
title: Materials Data on NaCu3 by Materials Project

description: NaCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Cu atoms to form a mixture of edge, face, and corner-sharing NaCu12 cuboctahedra. There are four shorter (2.69 Å) and eight longer (2.72 Å) Na–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Na atoms to form a mixture of distorted edge and corner-sharing CuNa4 cuboctahedra. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to four equivalent Na atoms.
DOI: 10.17188/1316416
title: Materials Data on TbH3 by Materials Project

description: TbH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Tb3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Tb–H bond distances ranging from 2.15–2.50 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the third H1- site, H1- is bonded to four equivalent Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing HTb4 tetrahedra.
DOI: 10.17188/1316418
title: Materials Data on HoTmMg2 by Materials Project

description: Mg2TmHo 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 four equivalent Tm and four equivalent Ho atoms. All Mg–Tm bond lengths are 3.26 Å. All Mg–Ho bond lengths are 3.26 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Ho is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1316419
title: Materials Data on Pm2ZnAg by Materials Project

description: Pm2AgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Zn atoms. All Pm–Ag bond lengths are 3.21 Å. All Pm–Zn bond lengths are 3.21 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316420
title: Materials Data on Ho2Se3 by Materials Project

description: Ho2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing HoSe6 octahedra. The corner-sharing octahedra tilt angles range from 3–5°. There are a spread of Ho–Se bond distances ranging from 2.85–2.88 Å. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing HoSe6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Ho–Se bond distances ranging from 2.84–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms.
DOI: 10.17188/1316421
title: Materials Data on Pm3Y by Materials Project

description: Pm3Y is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Y atoms to form PmPm8Y4 cuboctahedra that share corners with twelve equivalent PmPm8Y4 cuboctahedra, edges with eight equivalent YPm12 cuboctahedra, edges with sixteen PmPm8Y4 cuboctahedra, faces with four equivalent YPm12 cuboctahedra, and faces with fourteen PmPm8Y4 cuboctahedra. All Pm–Pm bond lengths are 3.64 Å. All Pm–Y bond lengths are 3.64 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Y atoms to form PmPm8Y4 cuboctahedra that share corners with four equivalent PmPm8Y4 cuboctahedra, corners with eight equivalent YPm12 cuboctahedra, edges with twenty-four PmPm8Y4 cuboctahedra, faces with six equivalent YPm12 cuboctahedra, and faces with twelve PmPm8Y4 cuboctahedra. All Pm–Y bond lengths are 3.64 Å. Y is bonded to twelve Pm atoms to form YPm12 cuboctahedra that share corners with four equivalent YPm12 cuboctahedra, corners with eight equivalent PmPm8Y4 cuboctahedra, edges with eight equivalent YPm12 cuboctahedra, edges with sixteen equivalent PmPm8Y4 cuboctahedra, faces with four equivalent YPm12 cuboctahedra, and faces with fourteen PmPm8Y4 cuboctahedra.
DOI: 10.17188/1316422
title: Materials Data on P3Au by Materials Project

description: PAu(P)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two P sheets oriented in the (0, 0, 1) direction and two PAu sheets oriented in the (0, 0, 1) direction. In each P sheet, P+0.33- is bonded in a square co-planar geometry to four equivalent P+0.33- atoms. All P–P bond lengths are 2.40 Å. In each PAu sheet, Au1+ is bonded in a square co-planar geometry to four equivalent P+0.33- atoms. All Au–P bond lengths are 2.40 Å. P+0.33- is bonded in a square co-planar geometry to four equivalent Au1+ atoms.
DOI: 10.17188/1316423
title: Materials Data on HoGa2Pd by Materials Project

description: HoPdGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to five equivalent Pd and ten equivalent Ga atoms. There are a spread of Ho–Pd bond distances ranging from 2.93–3.49 Å. There are a spread of Ho–Ga bond distances ranging from 3.01–3.37 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ho and six equivalent Ga atoms. There are two shorter (2.66 Å) and four longer (2.67 Å) Pd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to five equivalent Ho, three equivalent Pd, and two equivalent Ga atoms. There are one shorter (2.61 Å) and one longer (2.67 Å) Ga–Ga bond lengths.
DOI: 10.17188/1316424
title: Materials Data on HoGa3 by Materials Project

description: HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ga atoms to form a mixture of distorted corner and face-sharing HoGa12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.13 Å) Ho–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Ho and six equivalent Ga atoms. There are two shorter (2.80 Å) and four longer (2.81 Å) Ga–Ga bond lengths.
DOI: 10.17188/1316425
title: Materials Data on HoGeO3 by Materials Project

description: HoGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho3+ is bonded to twelve equivalent O2- atoms to form HoO12 cuboctahedra that share corners with twelve equivalent HoO12 cuboctahedra, faces with six equivalent HoO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Ho–O bond lengths are 2.76 Å. Ge3+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent HoO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Ho3+ and two equivalent Ge3+ atoms.
DOI: 10.17188/1316426
title: Materials Data on HoAlAu2 by Materials Project

description: HoAu2Al 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 eight equivalent Au atoms. All Ho–Au bond lengths are 2.95 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Al atoms. All Au–Al bond lengths are 2.95 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1316427
title: Materials Data on Na3Re by Materials Project

description: Na3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Re4 tetrahedra. All Na–Na bond lengths are 3.23 Å. All Na–Re bond lengths are 3.23 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Re atoms. All Na–Re bond lengths are 3.73 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Na atoms.
DOI: 10.17188/1316428
title: Materials Data on TbSc by Materials Project

description: TbSc crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to six equivalent Tb and six equivalent Sc atoms to form distorted TbTb6Sc6 cuboctahedra that share corners with eighteen equivalent TbTb6Sc6 cuboctahedra, edges with six equivalent TbTb6Sc6 cuboctahedra, edges with twelve equivalent ScTb6Sc6 cuboctahedra, faces with eight equivalent TbTb6Sc6 cuboctahedra, and faces with twelve equivalent ScTb6Sc6 cuboctahedra. All Tb–Tb bond lengths are 3.50 Å. All Tb–Sc bond lengths are 3.37 Å. Sc is bonded to six equivalent Tb and six equivalent Sc atoms to form distorted ScTb6Sc6 cuboctahedra that share corners with eighteen equivalent ScTb6Sc6 cuboctahedra, edges with six equivalent ScTb6Sc6 cuboctahedra, edges with twelve equivalent TbTb6Sc6 cuboctahedra, faces with eight equivalent ScTb6Sc6 cuboctahedra, and faces with twelve equivalent TbTb6Sc6 cuboctahedra. All Sc–Sc bond lengths are 3.50 Å.
DOI: 10.17188/1316429
title: Materials Data on Pa3W by Materials Project

description: Pa3W is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent W atoms to form distorted PaPa8W4 cuboctahedra that share corners with twelve equivalent PaPa8W4 cuboctahedra, edges with eight equivalent PaPa8W4 cuboctahedra, edges with eight equivalent WPa12 cuboctahedra, faces with four equivalent WPa12 cuboctahedra, and faces with ten equivalent PaPa8W4 cuboctahedra. There are four shorter (3.02 Å) and four longer (3.28 Å) Pa–Pa bond lengths. All Pa–W bond lengths are 3.28 Å. In the second Pa site, Pa is bonded in a square co-planar geometry to eight equivalent Pa and four equivalent W atoms. All Pa–W bond lengths are 3.02 Å. W is bonded to twelve Pa atoms to form WPa12 cuboctahedra that share corners with four equivalent WPa12 cuboctahedra, edges with eight equivalent WPa12 cuboctahedra, edges with sixteen equivalent PaPa8W4 cuboctahedra, faces with four equivalent WPa12 cuboctahedra, and faces with eight equivalent PaPa8W4 cuboctahedra.
DOI: 10.17188/1316430
title: Materials Data on Pm2InHg by Materials Project

description: Pm2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Pm–Hg bond lengths are 3.33 Å. All Pm–In bond lengths are 3.33 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316431
title: Materials Data on Ho3Tm by Materials Project

description: TmHo3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Ho atoms to form TmHo12 cuboctahedra that share corners with six equivalent TmHo12 cuboctahedra, corners with twelve equivalent HoHo8Tm4 cuboctahedra, edges with eighteen equivalent HoHo8Tm4 cuboctahedra, faces with eight equivalent TmHo12 cuboctahedra, and faces with twelve equivalent HoHo8Tm4 cuboctahedra. There are six shorter (3.48 Å) and six longer (3.59 Å) Tm–Ho bond lengths. Ho is bonded to four equivalent Tm and eight equivalent Ho atoms to form HoHo8Tm4 cuboctahedra that share corners with four equivalent TmHo12 cuboctahedra, corners with fourteen equivalent HoHo8Tm4 cuboctahedra, edges with six equivalent TmHo12 cuboctahedra, edges with twelve equivalent HoHo8Tm4 cuboctahedra, faces with four equivalent TmHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Tm4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.48–3.60 Å.
DOI: 10.17188/1316432
title: Materials Data on Tm3Al2 by Materials Project

description: Tm3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Tm–Al bond lengths are 3.27 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.06 Å) and four longer (3.08 Å) Tm–Al bond lengths. In the third Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.02 Å) and four longer (3.17 Å) Tm–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms. There are one shorter (2.74 Å) and one longer (2.94 Å) Al–Al bond lengths.
DOI: 10.17188/1316433
title: Materials Data on Na3Mg by Materials Project

description: Na3Mg is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent NaNa8Mg4 cuboctahedra, corners with eight equivalent MgNa12 cuboctahedra, edges with twenty-four NaNa8Mg4 cuboctahedra, faces with six equivalent MgNa12 cuboctahedra, and faces with twelve NaNa8Mg4 cuboctahedra. All Na–Na bond lengths are 3.60 Å. All Na–Mg bond lengths are 3.49 Å. In the second Na site, Na is bonded to eight Na and four equivalent Mg atoms to form NaNa8Mg4 cuboctahedra that share corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eight equivalent MgNa12 cuboctahedra, edges with sixteen NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with fourteen NaNa8Mg4 cuboctahedra. All Na–Na bond lengths are 3.49 Å. All Na–Mg bond lengths are 3.60 Å. Mg is bonded to twelve Na atoms to form MgNa12 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with eight equivalent NaNa8Mg4 cuboctahedra, edges with eight equivalent MgNa12 cuboctahedra, edges with sixteen equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with fourteen NaNa8Mg4 cuboctahedra.
DOI: 10.17188/1316434
title: Materials Data on Eu2MgSi2O7 by Materials Project

description: MgEu2Si2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Mg–O bond lengths are 1.96 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.56–2.80 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent MgO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+, two equivalent Eu2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Eu2+ and one Si4+ atom.
DOI: 10.17188/1316435
title: Materials Data on K3Ho by Materials Project

description: K3Ho is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Ho atoms. All K–K bond lengths are 4.21 Å. All K–Ho bond lengths are 4.21 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Ho is bonded in a body-centered cubic geometry to eight equivalent K atoms.
DOI: 10.17188/1316436
title: Materials Data on K3In by Materials Project

description: K3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent In atoms to form distorted KK8In4 cuboctahedra that share corners with twelve equivalent KK8In4 cuboctahedra, edges with eight equivalent InK12 cuboctahedra, edges with sixteen KK8In4 cuboctahedra, faces with four equivalent InK12 cuboctahedra, and faces with fourteen KK8In4 cuboctahedra. There are four shorter (4.09 Å) and four longer (4.13 Å) K–K bond lengths. All K–In bond lengths are 4.13 Å. In the second K site, K is bonded to eight equivalent K and four equivalent In atoms to form distorted KK8In4 cuboctahedra that share corners with four equivalent KK8In4 cuboctahedra, corners with eight equivalent InK12 cuboctahedra, edges with twenty-four KK8In4 cuboctahedra, faces with six equivalent InK12 cuboctahedra, and faces with twelve KK8In4 cuboctahedra. All K–In bond lengths are 4.09 Å. In is bonded to twelve K atoms to form InK12 cuboctahedra that share corners with four equivalent InK12 cuboctahedra, corners with eight equivalent KK8In4 cuboctahedra, edges with eight equivalent InK12 cuboctahedra, edges with sixteen equivalent KK8In4 cuboctahedra, faces with four equivalent InK12 cuboctahedra, and faces with fourteen KK8In4 cuboctahedra.
DOI: 10.17188/1316437
title: Materials Data on K3In by Materials Project

description: K3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent In atoms to form distorted KK8In4 cuboctahedra that share corners with twelve equivalent KK8In4 cuboctahedra, edges with eight equivalent InK12 cuboctahedra, edges with sixteen equivalent KK8In4 cuboctahedra, faces with four equivalent InK12 cuboctahedra, and faces with fourteen equivalent KK8In4 cuboctahedra. All K–K bond lengths are 4.12 Å. All K–In bond lengths are 4.12 Å. In is bonded to twelve equivalent K atoms to form InK12 cuboctahedra that share corners with twelve equivalent InK12 cuboctahedra, edges with twenty-four equivalent KK8In4 cuboctahedra, faces with six equivalent InK12 cuboctahedra, and faces with twelve equivalent KK8In4 cuboctahedra.
DOI: 10.17188/1316438
title: Materials Data on LiAl2Tc by Materials Project

description: LiTcAl2 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 six equivalent Tc and eight equivalent Al atoms. All Li–Tc bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. Tc is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Tc–Al bond lengths are 2.64 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms.
DOI: 10.17188/1316439
title: Materials Data on LiAl2Os by Materials Project

description: LiOsAl2 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 six equivalent Os and eight equivalent Al atoms. All Li–Os bond lengths are 3.02 Å. All Li–Al bond lengths are 2.62 Å. Os is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Os–Al bond lengths are 2.62 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Os atoms.
DOI: 10.17188/1316440
title: Materials Data on RbHg2 by Materials Project

description: RbHg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.80–4.12 Å. Hg is bonded in a 10-coordinate geometry to six equivalent Rb and four equivalent Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.18–3.39 Å.