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At least 883 records · Page 49
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DOE OSTI2020

Materials Data on LuMgAg2 by Materials Project

MgLuAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Mg–Ag bond lengths are 3.00 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Lu–Ag bond lengths are 3.00 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Y3Lu by Materials Project

LuY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Y atoms to form LuY12 cuboctahedra that share corners with six equivalent LuY12 cuboctahedra, corners with twelve equivalent YY8Lu4 cuboctahedra, edges with eighteen equivalent YY8Lu4 cuboctahedra, faces with eight equivalent LuY12 cuboctahedra, and faces with twelve equivalent YY8Lu4 cuboctahedra. There are six shorter (3.51 Å) and six longer (3.62 Å) Lu–Y bond lengths. Y is bonded to four equivalent Lu and eight equivalent Y atoms to form YY8Lu4 cuboctahedra that share corners with four equivalent LuY12 cuboctahedra, corners with fourteen equivalent YY8Lu4 cuboctahedra, edges with six equivalent LuY12 cuboctahedra, edges with twelve equivalent YY8Lu4 cuboctahedra, faces with four equivalent LuY12 cuboctahedra, and faces with sixteen equivalent YY8Lu4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.53–3.65 Å.

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Materials Data on LuScCo2 by Materials Project

LuScCo2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Lu–Co bond lengths are 2.76 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Sc–Co bond lengths are 2.76 Å. Co is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sc atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LuPdO3 by Materials Project

LuPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent O atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Lu–O bond lengths are 2.80 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 1.98 Å. O is bonded to four equivalent Lu and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing OLu4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3LuB2(PO7)2 by Materials Project

K3LuB2(PO7)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a distorted octahedral geometry to six equivalent O atoms. All K–O bond lengths are 2.77 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.73–3.11 Å. Lu is bonded to six equivalent O atoms to form LuO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Lu–O bond lengths are 2.18 Å. B is bonded in a trigonal planar geometry to three equivalent O atoms. All B–O bond lengths are 1.37 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent LuO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is three shorter (1.54 Å) and one longer (1.59 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two K and one B atom. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Lu, and one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom.

36 MATERIALS SCIENCE↗
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Materials Data on LuScHg2 by Materials Project

LuScHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Lu–Hg bond lengths are 3.11 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sc–Hg bond lengths are 3.11 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuZnRh by Materials Project

LuRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are two shorter (2.86 Å) and three longer (2.94 Å) Lu–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.66 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
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Materials Data on HoLuIn2 by Materials Project

LuHoIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Lu–In bond lengths are 3.22 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ho–In bond lengths are 3.22 Å. In is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
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Materials Data on KLuO3 by Materials Project

KLuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent LuO6 octahedra. All K–O bond lengths are 3.09 Å. Lu is bonded to six equivalent O atoms to form LuO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu3InS6 by Materials Project

Lu3InS6 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.75–2.88 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Lu–S bond distances ranging from 2.70–3.00 Å. In the third Lu3+ site, Lu3+ is bonded to seven S2- atoms to form distorted LuS7 pentagonal bipyramids that share a cornercorner with one InS6 octahedra, edges with two equivalent InS6 octahedra, and edges with two equivalent LuS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Lu–S bond distances ranging from 2.69–2.87 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share edges with two equivalent InS6 octahedra and edges with four equivalent LuS7 pentagonal bipyramids. All In–S bond lengths are 2.60 Å. In the second In3+ site, In3+ is bonded to six S2- atoms to form distorted InS6 octahedra that share corners with two equivalent LuS7 pentagonal bipyramids and edges with two equivalent InS6 octahedra. There are a spread of In–S bond distances ranging from 2.46–3.09 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Lu3+ atoms. In the second S2- site, S2- is bonded to three Lu3+ and two equivalent In3+ atoms to form distorted SLu3In2 trigonal bipyramids that share corners with four equivalent SLu3In2 trigonal bipyramids, corners with three equivalent SLu3In trigonal pyramids, edges with four equivalent SLu4In square pyramids, and an edgeedge with one SLu3In2 trigonal bipyramid. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Lu3+ and two equivalent In3+ atoms. In the fourth S2- site, S2- is bonded to four Lu3+ and one In3+ atom to form distorted SLu4In square pyramids that share a cornercorner with one SLu4In square pyramid, corners with two equivalent SLu3In trigonal pyramids, edges with two equivalent SLu4In square pyramids, and edges with four equivalent SLu3In2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Lu3+ and one In3+ atom to form distorted SLu3In trigonal pyramids that share corners with two equivalent SLu4In square pyramids, corners with three equivalent SLu3In2 trigonal bipyramids, and corners with three equivalent SLu3In trigonal pyramids. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to five Lu3+ atoms.

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Materials Data on Lu2AlNi2 by Materials Project

Lu2Ni2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.82 Å) and four longer (2.90 Å) Lu–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Lu, one Ni, and two equivalent Al atoms. The Ni–Ni bond length is 2.45 Å. Both Ni–Al bond lengths are 2.51 Å. Al is bonded to four equivalent Ni atoms to form distorted edge-sharing AlNi4 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on LuSc(FeO3)2 by Materials Project

LuSc(FeO3)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.23–2.46 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.23–2.50 Å. In the third Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.25–2.45 Å. There are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.17–2.51 Å. In the second Sc3+ site, Sc3+ is bonded to seven O2- atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent FeO5 trigonal bipyramids and edges with three equivalent FeO5 trigonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.17–2.35 Å. In the third Sc3+ site, Sc3+ is bonded to seven O2- atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent FeO5 trigonal bipyramids and edges with three equivalent FeO5 trigonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.18–2.31 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share a cornercorner with one ScO7 pentagonal bipyramid, corners with six equivalent FeO5 trigonal bipyramids, and an edgeedge with one ScO7 pentagonal bipyramid. There are a spread of Fe–O bond distances ranging from 1.95–2.01 Å. In the second Fe3+ site, Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share a cornercorner with one ScO7 pentagonal bipyramid, corners with six equivalent FeO5 trigonal bipyramids, and an edgeedge with one ScO7 pentagonal bipyramid. There are a spread of Fe–O bond distances ranging from 1.95–2.01 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Fe3+ atoms to form distorted OLuFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OLuFe3 trigonal pyramids, and edges with three equivalent OLu2ScFe tetrahedra. In the second O2- site, O2- is bonded to one Lu3+ and three equivalent Fe3+ atoms to form distorted OLuFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OLuFe3 trigonal pyramids, and edges with three equivalent OLu2ScFe tetrahedra. In the third O2- site, O2- is bonded to one Lu3+ and three equivalent Fe3+ atoms to form distorted OLuFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OScFe3 trigonal pyramids, and edges with three equivalent OLuSc2Fe tetrahedra. In the fourth O2- site, O2- is bonded to one Sc3+ and three equivalent Fe3+ atoms to form distorted OScFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OScFe3 trigonal pyramids, and edges with three equivalent OLuSc2Fe tetrahedra. In the fifth O2- site, O2- is bonded to two Lu3+, one Sc3+, and one Fe3+ atom to form OLu2ScFe tetrahedra that share corners with ten OLu2ScFe tetrahedra, corners with two OScFe3 trigonal pyramids, edges with three equivalent OLu2ScFe tetrahedra, and edges with two OLuFe3 trigonal pyramids. In the sixth O2- site, O2- is bonded to one Lu3+, two Sc3+, and one Fe3+ atom to form OLuSc2Fe tetrahedra that share corners with ten OLuSc2Fe tetrahedra, corners with two OScFe3 trigonal pyramids, edges with three equivalent OLuSc2Fe tetrahedra, and edges with two OLuFe3 trigonal pyramids. In the seventh O2- site, O2- is bonded to one Sc3+ and three equivalent Fe3+ atoms to form distorted OScFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OLuFe3 trigonal pyramids, and edges with three equivalent OLu2ScFe tetrahedra. In the eighth O2- site, O2- is bonded to one Sc3+ and three equivalent Fe3+ atoms to form distorted OScFe3 trigonal pyramids that share corners with six OLu2ScFe tetrahedra, corners with six OLuFe3 trigonal pyramids, and edges with three equivalent OLuSc2Fe tetrahedra. In the ninth O2- site, O2- is bonded to two Lu3+, one Sc3+, and one Fe3+ atom to form OLu2ScFe tetrahedra that share corners with ten OLu2ScFe tetrahedra, corners with four OLuFe3 trigonal pyramids, edges with three equivalent OLu2ScFe tetrahedra, and an edgeedge with one OScFe3 trigonal pyramid. In the tenth O2- site, O2- is bonded to one Lu3+, two Sc3+, and one Fe3+ atom to form distorted OLuSc2Fe tetrahedra that share corners with ten OLu2ScFe tetrahedra, corners with four OLuFe3 trigonal pyramids, edges with three equivalent OLuSc2Fe tetrahedra, and an edgeedge with one OScFe3 trigonal pyramid.

36 MATERIALS SCIENCE↗
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Materials Data on LuAu4 by Materials Project

LuAu4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Au atoms to form a mixture of edge and face-sharing LuAu12 cuboctahedra. There are eight shorter (2.99 Å) and four longer (3.02 Å) Lu–Au bond lengths. Au is bonded to three equivalent Lu atoms to form a mixture of distorted corner and edge-sharing AuLu3 cuboctahedra.

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Materials Data on LuTl by Materials Project

LuTl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.26 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Lu atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LuMg2Sc by Materials Project

Mg2LuSc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sc atoms. All Mg–Lu bond lengths are 3.18 Å. All Mg–Sc bond lengths are 3.18 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
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Materials Data on PmLuIn2 by Materials Project

LuPmIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Lu–In bond lengths are 3.28 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pm–In bond lengths are 3.28 Å. In is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Pm atoms.

36 MATERIALS SCIENCE↗
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Materials Data on LuMgTl2 by Materials Project

MgLuTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.21 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Lu–Tl bond lengths are 3.21 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YLuRh2 by Materials Project

LuYRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Lu–Rh bond lengths are 2.95 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.95 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms.

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