cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1192084
title: Materials Data on V3Pd by Materials Project

description: V3Pd crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Pd atoms. Both V–V bond lengths are 2.41 Å. All V–Pd bond lengths are 2.69 Å. Pd is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing PdV12 cuboctahedra.
DOI: 10.17188/1192085
title: Materials Data on YbSn2Pd by Materials Project

description: YbPdSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent Sn atoms. There are one shorter (3.04 Å) and two longer (3.35 Å) Yb–Pd bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.23–3.59 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. There are four shorter (2.80 Å) and two longer (2.83 Å) Pd–Sn bond lengths. Sn is bonded in a 5-coordinate geometry to five equivalent Yb and three equivalent Pd atoms.
DOI: 10.17188/1192086
title: Materials Data on PrMgPt by Materials Project

description: MgPrPt crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.77 Å) and two longer (2.96 Å) Mg–Pt bond lengths. Pr is bonded in a 5-coordinate geometry to five Pt atoms. There are four shorter (3.10 Å) and one longer (3.14 Å) Pr–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Pr atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Pr atoms.
DOI: 10.17188/1192087
title: Materials Data on SmMgPt by Materials Project

description: MgSmPt crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.75 Å) and two longer (2.90 Å) Mg–Pt bond lengths. Sm is bonded in a 5-coordinate geometry to five Pt atoms. There are four shorter (3.07 Å) and one longer (3.08 Å) Sm–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Sm atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Sm atoms.
DOI: 10.17188/1192088
title: Materials Data on PrMgRh by Materials Project

description: MgPrRh crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Rh atoms to form a mixture of distorted edge and corner-sharing MgRh4 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.78–2.90 Å. Pr is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Pr–Rh bond distances ranging from 3.03–3.11 Å. Rh is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Pr atoms.
DOI: 10.17188/1192089
title: Materials Data on LiSn4Rh by Materials Project

description: LiRhSn4 is Khatyrkite-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Li is bonded in a q6 geometry to two equivalent Rh and eight equivalent Sn atoms. Both Li–Rh bond lengths are 2.88 Å. All Li–Sn bond lengths are 2.97 Å. Rh is bonded in a distorted q6 geometry to two equivalent Li and eight equivalent Sn atoms. All Rh–Sn bond lengths are 2.84 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Rh atoms.
DOI: 10.17188/1192090
title: Materials Data on YbFe2 by Materials Project

description: YbFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Yb–Fe bond lengths are 2.96 Å. Fe is bonded to six equivalent Yb and six equivalent Fe atoms to form a mixture of edge, face, and corner-sharing FeYb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å.
DOI: 10.17188/1192091
title: Materials Data on Tb2MgPd2 by Materials Project

description: Tb2Pd2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 3.00 Å. Tb is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Tb–Pd bond lengths. Pd is bonded in a 8-coordinate geometry to two equivalent Mg and six equivalent Tb atoms.
DOI: 10.17188/1192092
title: Materials Data on Th2S5 by Materials Project

description: Th2S5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten S+1.60- atoms. There are a spread of Th–S bond distances ranging from 2.88–3.15 Å. There are three inequivalent S+1.60- sites. In the first S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms. In the second S+1.60- site, S+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and one S+1.60- atom. The S–S bond length is 2.16 Å. In the third S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.
DOI: 10.17188/1192093
title: Materials Data on Ba6Nd2Ti4O17 by Materials Project

description: Ba6Nd2Ti4O17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, faces with two equivalent NdO6 octahedra, and faces with six equivalent TiO6 octahedra. There are six shorter (3.04 Å) and six longer (3.05 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.74 Å) and six longer (3.07 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.53–3.06 Å. In the fourth Ba2+ site, Ba2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.90 Å. Nd3+ is bonded to six O2- atoms to form NdO6 octahedra that share corners with three equivalent TiO6 octahedra, corners with three equivalent TiO4 tetrahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.31 Å) and three longer (2.38 Å) Nd–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three equivalent NdO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (1.92 Å) and three longer (2.09 Å) Ti–O bond lengths. In the second Ti4+ site, Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.78 Å) and three longer (1.85 Å) Ti–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Nd3+, and one Ti4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ba2+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Nd3+, and one Ti4+ atom.
DOI: 10.17188/1192094
title: Materials Data on Ba6Y2Ti4O17 by Materials Project

description: Ba6Y2Ti4O17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.75 Å) and six longer (3.04 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–3.02 Å. In the third Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.91 Å. In the fourth Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, faces with two equivalent YO6 octahedra, and faces with six equivalent TiO6 octahedra. There are six shorter (3.01 Å) and six longer (3.02 Å) Ba–O bond lengths. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with three equivalent TiO6 octahedra, corners with three equivalent TiO4 tetrahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.23 Å) and three longer (2.29 Å) Y–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three equivalent YO6 octahedra, faces with three equivalent BaO12 cuboctahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (1.93 Å) and three longer (2.07 Å) Ti–O bond lengths. In the second Ti4+ site, Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 19°. There is one shorter (1.78 Å) and three longer (1.85 Å) Ti–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Y3+, and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Y3+, and one Ti4+ atom.
DOI: 10.17188/1192096
title: Materials Data on Co2Ge by Materials Project

description: Co2Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Co and five equivalent Ge atoms to form a mixture of distorted face and corner-sharing CoCo6Ge5 trigonal bipyramids. All Co–Co bond lengths are 2.63 Å. There are three shorter (2.31 Å) and two longer (2.51 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Co and six equivalent Ge atoms. Both Co–Co bond lengths are 2.51 Å. All Co–Ge bond lengths are 2.63 Å. Ge is bonded in a 11-coordinate geometry to eleven Co atoms.
DOI: 10.17188/1192097
title: Materials Data on YbAu2 by Materials Project

description: YbAu2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (3.04 Å) and two longer (3.05 Å) Yb–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Yb2+ atoms.
DOI: 10.17188/1192098
title: Materials Data on PrCuS2 by Materials Project

description: PrCuS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded to seven S2- atoms to form distorted PrS7 pentagonal bipyramids that share corners with four equivalent PrS7 pentagonal bipyramids, corners with five equivalent CuS4 tetrahedra, edges with seven equivalent PrS7 pentagonal bipyramids, and edges with four equivalent CuS4 tetrahedra. There are a spread of Pr–S bond distances ranging from 2.86–3.12 Å. Cu1+ is bonded to four S2- atoms to form distorted CuS4 tetrahedra that share corners with five equivalent PrS7 pentagonal bipyramids, corners with four equivalent CuS4 tetrahedra, edges with four equivalent PrS7 pentagonal bipyramids, and an edgeedge with one CuS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.33–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Pr3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1192099
title: Materials Data on Ti5Sb2Rh by Materials Project

description: Ti5RhSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Rh and four equivalent Sb atoms. Both Ti–Rh bond lengths are 2.68 Å. There are two shorter (2.81 Å) and two longer (3.08 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.62 Å. All Ti–Sb bond lengths are 2.76 Å. Rh is bonded in a 10-coordinate geometry to eight equivalent Ti atoms. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.
DOI: 10.17188/1192100
title: Materials Data on K2NdP2S7 by Materials Project

description: K2NdP2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.64 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.62 Å. Nd2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.90–3.20 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.02 Å) and two longer (2.04 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.05 Å) and one longer (2.07 Å) P–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two K1+, one Nd2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one Nd2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Nd2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Nd2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one Nd2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to three K1+, one Nd2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 3-coordinate geometry to two K1+, one Nd2+, and one P5+ atom.
DOI: 10.17188/1192101
title: Materials Data on SrLi2Ti6O14 by Materials Project

description: SrLi2Ti6O14 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with ten TiO6 octahedra. The corner-sharing octahedra tilt angles range from 51–67°. There are a spread of Li–O bond distances ranging from 1.99–2.08 Å. Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.11 Å. There are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with three TiO6 octahedra, corners with three equivalent LiO4 tetrahedra, and edges with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 18–32°. There are a spread of Ti–O bond distances ranging from 1.84–2.19 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.85–2.14 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with three TiO6 octahedra, corners with three equivalent LiO4 tetrahedra, and edges with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 23–25°. There are a spread of Ti–O bond distances ranging from 1.84–2.17 Å. In the fourth Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent LiO4 tetrahedra and edges with six TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.94–1.98 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Ti4+ atoms. In the second O2- site, O2- is bonded to one Li1+ and three Ti4+ atoms to form distorted corner-sharing OLiTi3 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sr2+, and two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Ti4+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Sr2+ and three Ti4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sr2+, and two Ti4+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+ and three Ti4+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Ti4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and three Ti4+ atoms.
DOI: 10.17188/1192109
title: Materials Data on K2ZnP2O7 by Materials Project

description: K2ZnP2O7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to eight O2- atoms to form distorted KO8 hexagonal bipyramids that share corners with two equivalent PO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, an edgeedge with one KO8 hexagonal bipyramid, and edges with four equivalent PO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.66–2.95 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.86 Å) and four longer (2.87 Å) K–O bond lengths. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent KO8 hexagonal bipyramids and corners with four equivalent PO4 tetrahedra. All Zn–O bond lengths are 1.99 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one PO4 tetrahedra, corners with two equivalent ZnO4 tetrahedra, and edges with two equivalent KO8 hexagonal bipyramids. There are a spread of P–O bond distances ranging from 1.51–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one Zn2+, and one P5+ atom.
DOI: 10.17188/1192111
title: Materials Data on MnPt by Materials Project

description: PtMn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Mn–Pt bond lengths are 2.72 Å. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Mn2+ atoms.
DOI: 10.17188/1192112
title: Materials Data on Pr2O3 by Materials Project

description: Pr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are four shorter (2.40 Å) and two longer (2.49 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pr–O bond lengths are 2.43 Å. O2- is bonded to four Pr3+ atoms to form a mixture of distorted corner and edge-sharing OPr4 trigonal pyramids.
DOI: 10.17188/1192113
title: Materials Data on YbSi2 by Materials Project

description: YbSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Si atoms to form a mixture of face and edge-sharing YbSi12 cuboctahedra. All Yb–Si bond lengths are 3.13 Å. Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å.
DOI: 10.17188/1192114
title: Materials Data on Pr2B5 by Materials Project

description: Pr2B5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Pr–B bond distances ranging from 2.72–3.27 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Pr–B bond distances ranging from 2.71–3.00 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms. There are a spread of B–B bond distances ranging from 1.69–1.84 Å. In the second B site, B is bonded in a 2-coordinate geometry to six Pr and two B atoms. The B–B bond length is 1.62 Å. In the third B site, B is bonded in a 3-coordinate geometry to six Pr and three B atoms. There is two shorter (1.78 Å) and one longer (1.92 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms.
DOI: 10.17188/1192115
title: Materials Data on Al6Tc by Materials Project

description: TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.
DOI: 10.17188/1192116
title: Materials Data on Al12Tc by Materials Project

description: TcAl12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Tc is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Tc–Al bond lengths are 2.72 Å. Al is bonded in a 1-coordinate geometry to one Tc and ten equivalent Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.89 Å.