cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1736548
title: Materials Data on Al4InAgSe8 by Materials Project

description: AgInAl4Se8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. There are two shorter (2.65 Å) and two longer (2.66 Å) Ag–Se bond lengths. In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–Se bond lengths. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra, corners with two equivalent InSe4 tetrahedra, and corners with four equivalent AlSe4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.49 Å) Al–Se bond lengths. In the second Al3+ site, Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra, corners with two equivalent InSe4 tetrahedra, and corners with four equivalent AlSe4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Al–Se bond lengths. In the third Al3+ site, Al3+ is bonded to four Se2- atoms to form AlSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra, corners with two equivalent InSe4 tetrahedra, and corners with four AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.38–2.48 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two Al3+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one In3+ and two Al3+ atoms. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+ and two Al3+ atoms. In the fourth Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one In3+ and two Al3+ atoms.
DOI: 10.17188/1736549
title: Materials Data on Rb2TlInBr6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736550
title: Materials Data on Ba2UPbO6 by Materials Project

description: Ba2UPbO6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent PbO6 octahedra. All Ba–O bond lengths are 3.20 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent PbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.09 Å. Pb2+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–O bond lengths are 2.44 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one U6+, and one Pb2+ atom.
DOI: 10.17188/1736552
title: Materials Data on Ca8Al3 by Materials Project

description: Ca8Al3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Ca sites. In the first Ca site, Ca is bonded in a 4-coordinate geometry to four Al atoms. There are a spread of Ca–Al bond distances ranging from 3.25–3.52 Å. In the second Ca site, Ca is bonded in a 2-coordinate geometry to four Al atoms. There are a spread of Ca–Al bond distances ranging from 3.13–3.60 Å. In the third Ca site, Ca is bonded in a 2-coordinate geometry to four Al atoms. There are a spread of Ca–Al bond distances ranging from 3.16–3.62 Å. In the fourth Ca site, Ca is bonded in a 2-coordinate geometry to four Al atoms. There are a spread of Ca–Al bond distances ranging from 3.18–3.64 Å. In the fifth Ca site, Ca is bonded in a distorted bent 120 degrees geometry to three Al atoms. There are a spread of Ca–Al bond distances ranging from 3.31–3.67 Å. In the sixth Ca site, Ca is bonded in a 2-coordinate geometry to four Al atoms. There are a spread of Ca–Al bond distances ranging from 3.18–3.57 Å. In the seventh Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three Al atoms. There are a spread of Ca–Al bond distances ranging from 3.24–3.40 Å. In the eighth Ca site, Ca is bonded in a distorted trigonal non-coplanar geometry to three Al atoms. There are a spread of Ca–Al bond distances ranging from 3.23–3.36 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Ca atoms. In the second Al site, Al is bonded in a distorted q6 geometry to ten Ca atoms. In the third Al site, Al is bonded in a 10-coordinate geometry to ten Ca atoms. In the fourth Al site, Al is bonded in a 10-coordinate geometry to ten Ca atoms.
DOI: 10.17188/1736553
title: Materials Data on Li3Rh by Materials Project

description: Li3Rh is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted see-saw-like geometry to four equivalent Rh atoms. All Li–Rh bond lengths are 2.68 Å. Rh is bonded to twelve equivalent Li atoms to form a mixture of face and corner-sharing RhLi12 cuboctahedra.
DOI: 10.17188/1736556
title: Materials Data on LiMg by Materials Project

description: LiMg crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms. All Li–Li bond lengths are 3.01 Å. All Li–Mg bond lengths are 3.00 Å. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms. All Mg–Mg bond lengths are 3.01 Å.
DOI: 10.17188/1736557
title: Materials Data on HfCoGe by Materials Project

description: HfCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Ge atoms. There are a spread of Hf–Co bond distances ranging from 2.76–3.13 Å. There are a spread of Hf–Ge bond distances ranging from 2.77–2.80 Å. Co is bonded in a 12-coordinate geometry to six equivalent Hf and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.49 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.
DOI: 10.17188/1736558
title: Materials Data on Ag3Sb by Materials Project

description: Ag3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve Ag1+ atoms to form AgAg12 cuboctahedra that share corners with six equivalent AgAg12 cuboctahedra, corners with twelve equivalent SbAg6Sb6 cuboctahedra, edges with eighteen AgAg12 cuboctahedra, faces with two equivalent SbAg6Sb6 cuboctahedra, and faces with eighteen AgAg12 cuboctahedra. There are six shorter (2.90 Å) and six longer (3.14 Å) Ag–Ag bond lengths. In the second Ag1+ site, Ag1+ is bonded to nine Ag1+ and three equivalent Sb3- atoms to form AgAg9Sb3 cuboctahedra that share corners with eighteen equivalent AgAg9Sb3 cuboctahedra, edges with six equivalent SbAg6Sb6 cuboctahedra, edges with twelve AgAg12 cuboctahedra, faces with six equivalent SbAg6Sb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Ag–Ag bond lengths are 3.14 Å. All Ag–Sb bond lengths are 3.12 Å. Sb3- is bonded to six equivalent Ag1+ and six equivalent Sb3- atoms to form SbAg6Sb6 cuboctahedra that share corners with six equivalent SbAg6Sb6 cuboctahedra, corners with twelve equivalent AgAg12 cuboctahedra, edges with six equivalent SbAg6Sb6 cuboctahedra, edges with twelve equivalent AgAg9Sb3 cuboctahedra, faces with six equivalent SbAg6Sb6 cuboctahedra, and faces with fourteen AgAg12 cuboctahedra. All Sb–Sb bond lengths are 3.14 Å.
DOI: 10.17188/1736559
title: Materials Data on BaGa3Sn by Materials Project

description: BaGa3Sn crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Ga and four equivalent Sn atoms. There are a spread of Ba–Ga bond distances ranging from 3.56–3.76 Å. All Ba–Sn bond lengths are 3.71 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Ba, four equivalent Ga, and one Sn atom. All Ga–Ga bond lengths are 2.69 Å. The Ga–Sn bond length is 2.80 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Ba, two equivalent Ga, and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.86 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Ba and five Ga atoms.
DOI: 10.17188/1736560
title: Materials Data on FeHg3 by Materials Project

description: FeHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing FeHg12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.22 Å) Fe–Hg bond lengths. Hg is bonded in a 2-coordinate geometry to four equivalent Fe and six equivalent Hg atoms. There are four shorter (3.01 Å) and two longer (3.07 Å) Hg–Hg bond lengths.
DOI: 10.25318/1410038001-fra
title: Caractéristiques de la population active, moyennes mobiles de trois mois, données désaisonnalisées

description: Nombre de personnes faisant partie de la population active (emploi et chômage), taux de chômage, taux d'activité et taux d'emploi selon la région métropolitaine de recensement. Sont présentées les données de 12 mois plus tôt, du mois précédent et du mois courant, ainsi que la variation sur 12 mois, la variation mensuelle, la variation sur 12 mois en pourcentage et la variation mensuelle en pourcentage. Les données sont aussi disponible pour l'erreur-type de l'estimation, l'erreur-type du changement mensuel et l'erreur-type du changement annuel.
DOI: 10.17188/1736561
title: Materials Data on Mg2FeMo3S8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736562
title: Materials Data on Ca3Nb4(O6F)2 by Materials Project

description: Ca3Nb4(O6F)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- and two equivalent F1- atoms to form distorted CaO6F2 hexagonal bipyramids that share edges with four equivalent CaO6F2 hexagonal bipyramids and edges with six NbO6 octahedra. There are two shorter (2.63 Å) and four longer (2.67 Å) Ca–O bond lengths. Both Ca–F bond lengths are 2.23 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and edges with six equivalent CaO6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Nb–O bond lengths are 2.00 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and edges with four equivalent CaO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–44°. All Nb–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two Nb5+ atoms. F1- is bonded in a trigonal planar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1736563
title: Materials Data on NaSO3F by Materials Project

description: NaSO3F crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent SO3F tetrahedra and faces with two equivalent NaO6 octahedra. All Na–O bond lengths are 2.50 Å. In the second Na1+ site, Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent SO3F tetrahedra and faces with two equivalent NaO6 octahedra. All Na–O bond lengths are 2.44 Å. S6+ is bonded to three equivalent O2- and one F1- atom to form SO3F tetrahedra that share corners with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. All S–O bond lengths are 1.45 Å. The S–F bond length is 1.63 Å. O2- is bonded in a 1-coordinate geometry to two Na1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1736564
title: Materials Data on NaSrPO4 by Materials Project

description: NaSrPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Na–O bond distances ranging from 2.40–3.13 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.00 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Na1+, two equivalent Sr2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, three equivalent Sr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Na1+, two equivalent Sr2+, and one P5+ atom.
DOI: 10.17188/1736566
title: Materials Data on LiMn3Al2(HO2)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736567
title: Materials Data on Li4Ni3SbO8 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736568
title: Materials Data on Hg3(SeO3)4 by Materials Project

description: Hg3(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Hg3(SeO3)4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.24–2.96 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.17–2.66 Å. There are two inequivalent Se+4.50+ sites. In the first Se+4.50+ site, Se+4.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.75 Å. In the second Se+4.50+ site, Se+4.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Hg2+ and one Se+4.50+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Hg2+ and one Se+4.50+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Hg2+ and one Se+4.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se+4.50+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Hg2+ and one Se+4.50+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one Se+4.50+ atom.
DOI: 10.17188/1736569
title: Materials Data on Mg3MnNi2 by Materials Project

description: Mg3MnNi2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to eight equivalent Mg, two equivalent Mn, and four equivalent Ni atoms. There are four shorter (2.98 Å) and four longer (3.22 Å) Mg–Mg bond lengths. Both Mg–Mn bond lengths are 2.86 Å. There are two shorter (2.77 Å) and two longer (2.84 Å) Mg–Ni bond lengths. Mn is bonded to six equivalent Mg and six equivalent Ni atoms to form distorted face-sharing MnMg6Ni6 cuboctahedra. All Mn–Ni bond lengths are 2.46 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Mg, three equivalent Mn, and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.59 Å.
DOI: 10.17188/1736570
title: Materials Data on LaNb2CuClO7 by Materials Project

description: (CuCl)LaNb2O7 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing LaO12 cuboctahedra. There are a spread of La–O bond distances ranging from 2.67–2.80 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.82–2.25 Å. Cu2+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.86 Å. Both Cu–Cl bond lengths are 2.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded to four equivalent La3+ and two equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing OLa4Nb2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded in a linear geometry to one Nb5+ and one Cu2+ atom. Cl1- is bonded in a bent 120 degrees geometry to two equivalent Cu2+ atoms.
DOI: 10.17188/1736571
title: Materials Data on Mn3Cd8N9 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736572
title: Materials Data on Rb2LiEuCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736573
title: Materials Data on Li3V3P8O29 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1736574
title: Materials Data on Gd4MgRh by Materials Project

description: MgGd4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Gd atoms to form a mixture of corner and face-sharing MgGd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Gd bond distances ranging from 3.36–3.58 Å. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to two equivalent Mg, ten Gd, and two equivalent Rh atoms. There are two shorter (3.55 Å) and eight longer (3.67 Å) Gd–Gd bond lengths. Both Gd–Rh bond lengths are 3.54 Å. In the second Gd site, Gd is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Gd, and two equivalent Rh atoms. Both Gd–Rh bond lengths are 2.85 Å. In the third Gd site, Gd is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Gd, and three equivalent Rh atoms. All Gd–Rh bond lengths are 2.84 Å. Rh is bonded in a 6-coordinate geometry to nine Gd atoms.
DOI: 10.17188/1736575
title: Materials Data on TbMgCo4 by Materials Project

description: TbMgCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Co atoms. All Mg–Tb bond lengths are 3.05 Å. All Mg–Co bond lengths are 2.92 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Co atoms. All Tb–Co bond lengths are 2.92 Å. Co is bonded to three equivalent Mg, three equivalent Tb, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTb3Mg3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.51 Å) Co–Co bond lengths.
DOI: 10.17188/1736576
title: Materials Data on Zr6Ga16Ru7 by Materials Project

description: Zr6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.83 Å) and four longer (3.01 Å) Zr–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Ga atoms to form a mixture of distorted corner and face-sharing RuZr4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Zr and three equivalent Ru atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms.
DOI: 10.17188/1736577
title: Materials Data on SmUAl4 by Materials Project

description: USmAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Al atoms. All U–Sm bond lengths are 3.41 Å. All U–Al bond lengths are 3.26 Å. Sm is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Al atoms. All Sm–Al bond lengths are 3.26 Å. Al is bonded to three equivalent U, three equivalent Sm, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlSm3U3Al6 cuboctahedra. There are three shorter (2.77 Å) and three longer (2.80 Å) Al–Al bond lengths.