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Materials Data on AcLa3 by Materials Project

AcLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with eight equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and eight longer (3.81 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with twelve equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and four longer (3.81 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent LaAc4La8 cuboctahedra, corners with eight equivalent AcLa12 cuboctahedra, edges with twenty-four LaAc4La8 cuboctahedra, faces with six equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra.

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Materials Data on La3Yb by Materials Project

YbLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve La atoms to form YbLa12 cuboctahedra that share corners with four equivalent YbLa12 cuboctahedra, corners with eight equivalent LaLa8Yb4 cuboctahedra, edges with eight equivalent YbLa12 cuboctahedra, edges with sixteen equivalent LaLa8Yb4 cuboctahedra, faces with four equivalent YbLa12 cuboctahedra, and faces with fourteen LaLa8Yb4 cuboctahedra. There are four shorter (3.74 Å) and eight longer (3.75 Å) Yb–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Yb and eight La atoms to form LaLa8Yb4 cuboctahedra that share corners with twelve equivalent LaLa8Yb4 cuboctahedra, edges with eight equivalent YbLa12 cuboctahedra, edges with sixteen LaLa8Yb4 cuboctahedra, faces with four equivalent YbLa12 cuboctahedra, and faces with fourteen LaLa8Yb4 cuboctahedra. There are four shorter (3.74 Å) and four longer (3.75 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Yb and eight equivalent La atoms to form LaLa8Yb4 cuboctahedra that share corners with four equivalent LaLa8Yb4 cuboctahedra, corners with eight equivalent YbLa12 cuboctahedra, edges with twenty-four LaLa8Yb4 cuboctahedra, faces with six equivalent YbLa12 cuboctahedra, and faces with twelve LaLa8Yb4 cuboctahedra.

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Materials Data on La3(P3Pd10)2 by Materials Project

La3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to sixteen Pd atoms to form distorted LaPd16 tetrahedra that share edges with six equivalent LaPd16 tetrahedra and faces with four equivalent LaP6Pd12 cuboctahedra. There are four shorter (2.93 Å) and twelve longer (3.39 Å) La–Pd bond lengths. In the second La site, La is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing LaP6Pd12 cuboctahedra. All La–Pd bond lengths are 3.05 Å. All La–P bond lengths are 3.28 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one La, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.09 Å. All Pd–P bond lengths are 2.52 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three La, nine Pd, and two equivalent P atoms. There are one shorter (2.70 Å) and four longer (3.05 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.43 Å. P is bonded in a 9-coordinate geometry to one La and eight Pd atoms.

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Materials Data on La5Ru2 by Materials Project

La5Ru2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to three equivalent Ru atoms. There are a spread of La–Ru bond distances ranging from 2.72–3.64 Å. In the second La site, La is bonded to four equivalent Ru atoms to form distorted edge-sharing LaRu4 tetrahedra. All La–Ru bond lengths are 3.06 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of La–Ru bond distances ranging from 2.89–3.29 Å. Ru is bonded in a 7-coordinate geometry to eight La atoms.

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Materials Data on SrLa3 by Materials Project

SrLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve La atoms to form SrLa12 cuboctahedra that share corners with four equivalent SrLa12 cuboctahedra, corners with eight equivalent LaSr4La8 cuboctahedra, edges with eight equivalent SrLa12 cuboctahedra, edges with sixteen equivalent LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with fourteen LaSr4La8 cuboctahedra. There are four shorter (3.84 Å) and eight longer (3.85 Å) Sr–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Sr and eight La atoms to form LaSr4La8 cuboctahedra that share corners with twelve equivalent LaSr4La8 cuboctahedra, edges with eight equivalent SrLa12 cuboctahedra, edges with sixteen LaSr4La8 cuboctahedra, faces with four equivalent SrLa12 cuboctahedra, and faces with fourteen LaSr4La8 cuboctahedra. There are four shorter (3.84 Å) and four longer (3.85 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Sr and eight equivalent La atoms to form LaSr4La8 cuboctahedra that share corners with four equivalent LaSr4La8 cuboctahedra, corners with eight equivalent SrLa12 cuboctahedra, edges with twenty-four LaSr4La8 cuboctahedra, faces with six equivalent SrLa12 cuboctahedra, and faces with twelve LaSr4La8 cuboctahedra.

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Materials Data on La3Pt2 by Materials Project

La3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Pt atoms. All La–Pt bond lengths are 3.15 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (3.04 Å) and three longer (3.25 Å) La–Pt bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of La–Pt bond distances ranging from 2.99–3.48 Å. Pt is bonded in a 8-coordinate geometry to eight La atoms.

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Materials Data on Li2La2Si3 by Materials Project

La2Li2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to three equivalent La and four Si atoms to form a mixture of distorted edge, face, and corner-sharing LiLa3Si4 tetrahedra. All Li–La bond lengths are 3.16 Å. There are a spread of Li–Si bond distances ranging from 2.63–2.77 Å. There are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of La–Si bond distances ranging from 3.15–3.28 Å. In the second La site, La is bonded in a 12-coordinate geometry to six equivalent Li and six Si atoms. All La–Si bond lengths are 3.20 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six La, and two equivalent Si atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Li and three La atoms.

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Materials Data on La7Pt3 by Materials Project

La7Pt3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. All La–Pt bond lengths are 3.01 Å. In the second La site, La is bonded in a distorted water-like geometry to two equivalent Pt atoms. Both La–Pt bond lengths are 2.96 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are two shorter (3.01 Å) and one longer (3.12 Å) La–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to six La atoms.

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Materials Data on La3Lu by Materials Project

LuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded to twelve La atoms to form LuLa12 cuboctahedra that share corners with four equivalent LuLa12 cuboctahedra, corners with eight equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen equivalent LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.69 Å) Lu–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Lu and eight La atoms to form LaLa8Lu4 cuboctahedra that share corners with twelve equivalent LaLa8Lu4 cuboctahedra, edges with eight equivalent LuLa12 cuboctahedra, edges with sixteen LaLa8Lu4 cuboctahedra, faces with four equivalent LuLa12 cuboctahedra, and faces with fourteen LaLa8Lu4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.69 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Lu and eight equivalent La atoms to form LaLa8Lu4 cuboctahedra that share corners with four equivalent LaLa8Lu4 cuboctahedra, corners with eight equivalent LuLa12 cuboctahedra, edges with twenty-four LaLa8Lu4 cuboctahedra, faces with six equivalent LuLa12 cuboctahedra, and faces with twelve LaLa8Lu4 cuboctahedra.

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Materials Data on La8Si5N14O by Materials Project

La8Si5N14O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of La–N bond distances ranging from 2.43–3.06 Å. There are one shorter (3.03 Å) and one longer (3.13 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of La–N bond distances ranging from 2.55–2.94 Å. The La–O bond length is 2.48 Å. In the third La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six SiN3O tetrahedra and an edgeedge with one SiN4 tetrahedra. There are a spread of La–N bond distances ranging from 2.43–2.61 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.56–3.19 Å. In the fifth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.51–2.94 Å. In the sixth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.43–3.06 Å. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.44–3.03 Å. In the eighth La3+ site, La3+ is bonded in a 6-coordinate geometry to five N3- and one O2- atom. There are a spread of La–N bond distances ranging from 2.66–2.78 Å. The La–O bond length is 2.47 Å. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with three SiN4 tetrahedra and an edgeedge with one LaN6 octahedra. There are a spread of Si–N bond distances ranging from 1.71–1.76 Å. In the second Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with three equivalent LaN6 octahedra. The corner-sharing octahedra tilt angles range from 22–23°. All Si–N bond lengths are 1.73 Å. The Si–O bond length is 1.71 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one LaN6 octahedra, a cornercorner with one SiN4 tetrahedra, and an edgeedge with one SiN4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Si–N bond distances ranging from 1.73–1.83 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with two equivalent LaN6 octahedra, a cornercorner with one SiN4 tetrahedra, and an edgeedge with one SiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–71°. There are a spread of Si–N bond distances ranging from 1.74–1.79 Å. In the fifth Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is three shorter (1.74 Å) and one longer (1.75 Å) Si–N bond length. There are fifteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Si4+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three La3+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 5-coordinate geometry to three La3+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to three La3+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the sixth N3- site, N3- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the seventh N3- site, N3- is bonded in a 2-coordinate geometry to three La3+ and two Si4+ atoms. In the eighth N3- site, N3- is bonded in a distorted linear geometry to four La3+ and two equivalent Si4+ atoms. In the ninth N3- site, N3- is bonded in a 5-coordinate geometry to four La3+ and one Si4+ atom. In the tenth N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. In the twelfth N3- site, N3- is bonded in a distorted linear geometry to four La3+ and two equivalent Si4+ atoms. In the thirteenth N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. In the fourteenth N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. In the fifteenth N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. O2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom.

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Materials Data on LaV3TeO15 by Materials Project

LaV3TeO15 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.52 Å. There are three inequivalent V sites. In the first V site, V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of V–O bond distances ranging from 1.66–1.83 Å. In the second V site, V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of V–O bond distances ranging from 1.66–1.83 Å. In the third V site, V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of V–O bond distances ranging from 1.66–1.83 Å. Te is bonded to six O atoms to form TeO6 octahedra that share corners with six VO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.93–1.95 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one V atom. In the second O site, O is bonded in a distorted single-bond geometry to one La and one V atom. In the third O site, O is bonded in a distorted single-bond geometry to one La and one V atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one V atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one V atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one La and one V atom. In the seventh O site, O is bonded in a single-bond geometry to one La atom. In the eighth O site, O is bonded in a single-bond geometry to one La atom. In the ninth O site, O is bonded in a single-bond geometry to one La atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one V and one Te atom.

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Materials Data on La3(IO3)13 by Materials Project

La3(O3I)13 crystallizes in the trigonal R3c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one La and one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one La and one I atom. The O–I bond length is 1.82 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.82 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one La and one I atom. The O–I bond length is 1.83 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one La and one I atom. The O–I bond length is 1.83 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one I atom. The O–I bond length is 1.83 Å. In the eighth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the ninth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a 1-coordinate geometry to one La and two I atoms. There are one shorter (1.85 Å) and one longer (2.63 Å) O–I bond lengths. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one La and one I atom. The O–I bond length is 1.84 Å. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one La and one I atom. The O–I bond length is 1.84 Å. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one La and one I atom. The O–I bond length is 1.84 Å. There are five inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a 3-coordinate geometry to four O atoms. In the third I site, I is bonded in a trigonal non-coplanar geometry to three equivalent O atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to three O atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three O atoms.

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Materials Data on LaCo4B by Materials Project

LaCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All La–Co bond lengths are 2.94 Å. All La–B bond lengths are 2.96 Å. In the second La site, La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.96 Å) and twelve longer (3.24 Å) La–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Co atoms. All Co–Co bond lengths are 2.47 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four La, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Co atoms.

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Materials Data on La3Rh2 by Materials Project

La3Rh2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Rh atoms. All La–Rh bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Rh atoms. There are three shorter (2.97 Å) and three longer (3.19 Å) La–Rh bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of La–Rh bond distances ranging from 2.92–3.37 Å. Rh is bonded in a 8-coordinate geometry to eight La atoms.

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Materials Data on La3(ZnPd)4 by Materials Project

La3(PdZn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to six Pd atoms to form edge-sharing LaPd6 octahedra. There are four shorter (3.11 Å) and two longer (3.14 Å) La–Pd bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to six Pd and six equivalent Zn atoms. There are two shorter (3.07 Å) and four longer (3.19 Å) La–Pd bond lengths. All La–Zn bond lengths are 3.20 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three La and six equivalent Zn atoms. There are four shorter (2.63 Å) and two longer (2.83 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six La, one Pd, and two equivalent Zn atoms. The Pd–Pd bond length is 2.95 Å. Both Pd–Zn bond lengths are 2.65 Å. Zn is bonded in a 4-coordinate geometry to three equivalent La and four Pd atoms.

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Materials Data on LaRe3O16 by Materials Project

LaRe3O16 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one LaRe3O16 sheet oriented in the (1, 0, 0) direction. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.43–3.00 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.72–1.77 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.78 Å. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.74–1.80 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one La and one Re atom. In the second O site, O is bonded in a single-bond geometry to one Re atom. In the third O site, O is bonded in a single-bond geometry to one Re atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Re atom. In the fifth O site, O is bonded in a single-bond geometry to one Re atom. In the sixth O site, O is bonded in a distorted linear geometry to one La and one Re atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Re atom. In the tenth O site, O is bonded in a single-bond geometry to one Re atom. In the eleventh O site, O is bonded in a single-bond geometry to one Re atom. In the twelfth O site, O is bonded in a single-bond geometry to one La atom. In the thirteenth O site, O is bonded in a single-bond geometry to one La atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Re atom. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Re atom. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Re atom.

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Materials Data on La2Mg by Materials Project

La2Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine La atoms. There are a spread of Mg–La bond distances ranging from 3.57–3.61 Å. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of edge, face, and corner-sharing LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.47–3.65 Å. In the second La site, La is bonded to six equivalent Mg and six equivalent La atoms to form LaLa6Mg6 cuboctahedra that share corners with six equivalent LaLa6Mg6 cuboctahedra, edges with eighteen LaLa8Mg4 cuboctahedra, and faces with twelve equivalent LaLa8Mg4 cuboctahedra.

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Materials Data on La3Tm by Materials Project

TmLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve La atoms to form TmLa12 cuboctahedra that share corners with four equivalent TmLa12 cuboctahedra, corners with eight equivalent LaLa8Tm4 cuboctahedra, edges with eight equivalent TmLa12 cuboctahedra, edges with sixteen equivalent LaLa8Tm4 cuboctahedra, faces with four equivalent TmLa12 cuboctahedra, and faces with fourteen LaLa8Tm4 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Tm–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Tm and eight La atoms to form LaLa8Tm4 cuboctahedra that share corners with twelve equivalent LaLa8Tm4 cuboctahedra, edges with eight equivalent TmLa12 cuboctahedra, edges with sixteen LaLa8Tm4 cuboctahedra, faces with four equivalent TmLa12 cuboctahedra, and faces with fourteen LaLa8Tm4 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Tm and eight equivalent La atoms to form LaLa8Tm4 cuboctahedra that share corners with four equivalent LaLa8Tm4 cuboctahedra, corners with eight equivalent TmLa12 cuboctahedra, edges with twenty-four LaLa8Tm4 cuboctahedra, faces with six equivalent TmLa12 cuboctahedra, and faces with twelve LaLa8Tm4 cuboctahedra.

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