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At least 343 records · Page 19
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DOE OSTI2020

Materials Data on LuCo4B by Materials Project

LuCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Lu–Co bond lengths are 2.86 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Lu–Co bond lengths are 2.88 Å. All Lu–B bond lengths are 2.86 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Co atoms. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Lu, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Co atoms.

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Materials Data on Lu5Ni2Bi by Materials Project

Lu5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to four equivalent Ni and two equivalent Bi atoms. All Lu–Ni bond lengths are 2.90 Å. Both Lu–Bi bond lengths are 3.46 Å. In the second Lu site, Lu is bonded to three equivalent Ni and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing LuNi3Bi2 square pyramids. There are two shorter (2.82 Å) and one longer (2.88 Å) Lu–Ni bond lengths. Both Lu–Bi bond lengths are 3.23 Å. Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.73 Å. Bi is bonded in a 10-coordinate geometry to ten Lu atoms.

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Materials Data on YLuTh2(BRh)16 by Materials Project

Th2LuY(RhB)16 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.20 Å. There are a spread of Th–B bond distances ranging from 3.04–3.19 Å. In the second Th site, Th is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Th–Rh bond distances ranging from 3.00–3.21 Å. There are a spread of Th–B bond distances ranging from 3.04–3.20 Å. Lu is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Lu–Rh bond distances ranging from 2.94–3.19 Å. There are a spread of Lu–B bond distances ranging from 3.04–3.16 Å. Y is bonded in a 12-coordinate geometry to twelve Rh and twelve B atoms. There are a spread of Y–Rh bond distances ranging from 2.96–3.20 Å. There are a spread of Y–B bond distances ranging from 3.04–3.16 Å. There are eight inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Lu, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.23–2.30 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Lu, one Y, and five B atoms. There are two shorter (2.22 Å) and three longer (2.23 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to two equivalent Th, one Lu, and five B atoms. There are four shorter (2.23 Å) and one longer (2.31 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to one Th, two equivalent Y, and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. In the seventh Rh site, Rh is bonded in a 5-coordinate geometry to three Th and five B atoms. There are four shorter (2.24 Å) and one longer (2.28 Å) Rh–B bond lengths. In the eighth Rh site, Rh is bonded in a 5-coordinate geometry to one Lu, two equivalent Y, and five B atoms. There are four shorter (2.22 Å) and one longer (2.26 Å) Rh–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Lu, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Y, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to one Lu, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to two equivalent Th, one Lu, five Rh, and one B atom. The B–B bond length is 1.79 Å. In the sixth B site, B is bonded in a 6-coordinate geometry to one Th, two equivalent Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the seventh B site, B is bonded in a 6-coordinate geometry to two equivalent Lu, one Y, five Rh, and one B atom. The B–B bond length is 1.81 Å. In the eighth B site, B is bonded in a 6-coordinate geometry to three Th, five Rh, and one B atom. The B–B bond length is 1.77 Å.

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Materials Data on Lu2Co17 by Materials Project

Lu2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Lu–Co bond distances ranging from 2.90–3.23 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Lu–Co bond distances ranging from 2.88–3.12 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Lu and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.67 Å. In the second Co site, Co is bonded to two equivalent Lu and ten Co atoms to form CoLu2Co10 cuboctahedra that share corners with fourteen CoLu2Co10 cuboctahedra, edges with six equivalent CoLu3Co9 cuboctahedra, and faces with ten CoLu2Co10 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two Lu and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.51 Å. In the fourth Co site, Co is bonded to three Lu and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoLu3Co9 cuboctahedra. Both Co–Co bond lengths are 2.40 Å.

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Materials Data on LuNi4B by Materials Project

LuNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Lu–Ni bond lengths are 2.85 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Lu–Ni bond lengths are 2.85 Å. All Lu–B bond lengths are 2.85 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Lu and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni9 cuboctahedra. There are six shorter (2.48 Å) and three longer (2.85 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Lu, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.02 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ni atoms.

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Materials Data on Lu6FeBi2 by Materials Project

Lu6FeBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Bi atoms. Both Lu–Fe bond lengths are 2.78 Å. Both Lu–Bi bond lengths are 3.22 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Fe and four equivalent Bi atoms. The Lu–Fe bond length is 3.12 Å. All Lu–Bi bond lengths are 3.26 Å. Fe is bonded in a 9-coordinate geometry to nine Lu atoms. Bi is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on NaLu3 by Materials Project

NaLu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Lu atoms. There are eight shorter (3.37 Å) and six longer (3.89 Å) Na–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Lu atoms. All Lu–Lu bond lengths are 3.37 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Lu atoms.

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Materials Data on Lu2Ni17 by Materials Project

Lu2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.86–3.19 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.82–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Lu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded to two equivalent Lu and ten Ni atoms to form NiLu2Ni10 cuboctahedra that share corners with fourteen NiLu2Ni10 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with ten NiLu2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Lu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. In the fourth Ni site, Ni is bonded to three Lu and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å.

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Materials Data on LuN3O13 by Materials Project

LuN3O13 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four LuN3O13 clusters. Lu is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Lu–O bond distances ranging from 2.27–2.68 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Lu and one N atom. In the second 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 third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one Lu and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Lu and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Lu atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Lu and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted L-shaped geometry to one Lu and one N atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Lu and one O atom. In the eleventh O site, O is bonded in a single-bond geometry to one Lu atom. In the twelfth O site, O is bonded in a single-bond geometry to one N atom. In the thirteenth O site, O is bonded in an L-shaped geometry to one Lu and one N atom.

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Materials Data on LuZnSn by Materials Project

LuZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Lu–Zn bond lengths are 2.96 Å. All Lu–Sn bond lengths are 3.35 Å. In the second Lu site, Lu is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing LuZn6Sn6 octahedra. All Lu–Zn bond lengths are 3.53 Å. All Lu–Sn bond lengths are 3.10 Å. Zn is bonded in a 10-coordinate geometry to six Lu, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.81 Å. All Zn–Sn bond lengths are 2.69 Å. Sn is bonded in a 9-coordinate geometry to six Lu and three equivalent Zn atoms.

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Materials Data on Lu3Ga5 by Materials Project

Lu3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.81–3.24 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Lu–Ga bond distances ranging from 2.92–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Lu and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.86 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Lu and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.96 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Lu and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Lu and three Ga atoms.

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Materials Data on LuNiP by Materials Project

LuNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.96 Å. All Lu–P bond lengths are 2.87 Å. In the second Lu site, Lu is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of edge and face-sharing LuNi6P6 cuboctahedra. All Lu–Ni bond lengths are 2.86 Å. All Lu–P bond lengths are 2.95 Å. Ni is bonded in a 3-coordinate geometry to six Lu and three equivalent P atoms. All Ni–P bond lengths are 2.22 Å. P is bonded in a 3-coordinate geometry to six Lu and three equivalent Ni atoms.

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Materials Data on Lu6MnSb2 by Materials Project

Lu6MnSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to two equivalent Mn and two equivalent Sb atoms to form a mixture of distorted corner and edge-sharing LuMn2Sb2 tetrahedra. Both Lu–Mn bond lengths are 2.81 Å. Both Lu–Sb bond lengths are 3.13 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Mn and four equivalent Sb atoms. The Lu–Mn bond length is 3.15 Å. All Lu–Sb bond lengths are 3.22 Å. Mn is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on Lu6MnBi2 by Materials Project

Lu6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to two equivalent Mn and two equivalent Bi atoms to form a mixture of distorted edge and corner-sharing LuMn2Bi2 tetrahedra. Both Lu–Mn bond lengths are 2.82 Å. Both Lu–Bi bond lengths are 3.21 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Mn and four equivalent Bi atoms. The Lu–Mn bond length is 3.15 Å. All Lu–Bi bond lengths are 3.28 Å. Mn is bonded in a 9-coordinate geometry to nine Lu atoms. Bi is bonded in a 9-coordinate geometry to nine Lu atoms.

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Materials Data on LuAl3Ni2 by Materials Project

LuNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Lu–Ni bond lengths are 2.83 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Lu–Ni bond lengths are 3.08 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Lu–Al bond lengths. Ni is bonded in a 9-coordinate geometry to three Lu and six Al atoms. All Ni–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Lu and four equivalent Ni atoms.

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Materials Data on Lu5BiPd2 by Materials Project

Lu5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted corner-sharing LuBi2Pd4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Lu–Pd bond lengths are 2.95 Å. Both Lu–Bi bond lengths are 3.43 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three equivalent Pd and two equivalent Bi atoms. There are one shorter (2.93 Å) and two longer (2.95 Å) Lu–Pd bond lengths. Both Lu–Bi bond lengths are 3.25 Å. Pd is bonded in a 8-coordinate geometry to eight Lu atoms. Bi is bonded in a 10-coordinate geometry to ten Lu atoms.

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Materials Data on Lu5SbPt2 by Materials Project

Lu5Pt2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Pt and two equivalent Sb atoms to form distorted corner-sharing LuSb2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. All Lu–Pt bond lengths are 2.94 Å. Both Lu–Sb bond lengths are 3.39 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Sb atoms. There are one shorter (2.87 Å) and two longer (2.93 Å) Lu–Pt bond lengths. Both Lu–Sb bond lengths are 3.22 Å. Pt is bonded in a 8-coordinate geometry to eight Lu atoms. Sb is bonded in a 10-coordinate geometry to ten Lu atoms.

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Materials Data on Lu2InAu2 by Materials Project

Lu2Au2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Lu–Au bond lengths. All Lu–In bond lengths are 3.49 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.99 Å) Lu–Au bond lengths. All Lu–In bond lengths are 3.41 Å. Au is bonded in a 8-coordinate geometry to six Lu and two equivalent In atoms. Both Au–In bond lengths are 3.12 Å. In is bonded in a 12-coordinate geometry to eight Lu and four equivalent Au atoms.

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