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At least 991 records · Page 55
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DOE OSTI2020

Materials Data on NbSbRh by Materials Project

NbRhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing NbSb6Rh4 tetrahedra. All Nb–Rh bond lengths are 2.70 Å. All Nb–Sb bond lengths are 3.12 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.70 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Nb and four equivalent Rh atoms.

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DOE OSTI2020

Materials Data on Y(SiRh)2 by Materials Project

YRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Y–Rh bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Rh is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhY4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.44 Å.

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DOE OSTI2020

Materials Data on LaB2Rh3 by Materials Project

LaRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve equivalent Rh, and six equivalent B atoms. Both La–La bond lengths are 3.14 Å. All La–Rh bond lengths are 3.18 Å. All La–B bond lengths are 3.20 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Rh–B bond lengths are 2.24 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Rh atoms.

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DOE OSTI2020

Materials Data on NdBRh3 by Materials Project

NdRh3B1.000 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Rh atoms to form NdRh12 cuboctahedra that share corners with twelve equivalent NdRh12 cuboctahedra, faces with six equivalent NdRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Nd–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Nd and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhNd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.13 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent NdRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBRh3 by Materials Project

HoRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Rh atoms to form HoRh12 cuboctahedra that share corners with twelve equivalent HoRh12 cuboctahedra, faces with six equivalent HoRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ho–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Ho and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.10 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent HoRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on LuBRh3 by Materials Project

LuRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Rh atoms to form LuRh12 cuboctahedra that share corners with twelve equivalent LuRh12 cuboctahedra, faces with six equivalent LuRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Lu–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Lu and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhLu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.09 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent LuRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErBRh3 by Materials Project

ErRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Rh atoms to form ErRh12 cuboctahedra that share corners with twelve equivalent ErRh12 cuboctahedra, faces with six equivalent ErRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Er–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.10 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent ErRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbBRh3 by Materials Project

TbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Rh atoms to form TbRh12 cuboctahedra that share corners with twelve equivalent TbRh12 cuboctahedra, faces with six equivalent TbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tb–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Tb and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing RhTb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.11 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent TbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on Ho(SiRh)2 by Materials Project

HoRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ho–Rh bond lengths are 3.22 Å. All Ho–Si bond lengths are 3.12 Å. Rh is bonded to four equivalent Ho and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4Si4 tetrahedra. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.42 Å.

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DOE OSTI2020

Materials Data on Ce(SiRh)2 by Materials Project

CeRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ce–Rh bond lengths are 3.26 Å. All Ce–Si bond lengths are 3.15 Å. Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhCe4Si4 tetrahedra. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.47 Å.

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DOE OSTI2020

Materials Data on Er2Si3Rh by Materials Project

Er2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Si atoms to form ErSi12 cuboctahedra that share edges with twelve equivalent ErSi8Rh4 cuboctahedra and faces with eight ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Er–Si bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing ErSi8Rh4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.14 Å) Er–Rh bond lengths. There are a spread of Er–Si bond distances ranging from 3.01–3.11 Å. Rh is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Rh–Si bond lengths are 2.36 Å. Si is bonded in a 1-coordinate geometry to six Er, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.

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DOE OSTI2020

Materials Data on Dy(GeRh)2 by Materials Project

Dy(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Dy–Rh bond lengths are 3.32 Å. All Dy–Ge bond lengths are 3.19 Å. Rh is bonded to four equivalent Dy and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing RhDy4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sn13Rh4 by Materials Project

Ca3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Ca–Rh bond lengths are 3.48 Å. There are four shorter (3.45 Å) and eight longer (3.47 Å) Ca–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(SiRh)2 by Materials Project

Th(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Th–Rh bond lengths are 3.28 Å. All Th–Si bond lengths are 3.17 Å. Rh is bonded to four equivalent Th and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhTh4Si4 tetrahedra. All Rh–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(GeRh)2 by Materials Project

La(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All La–Rh bond lengths are 3.40 Å. All La–Ge bond lengths are 3.28 Å. Rh is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhLa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.49 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnRh2Pb by Materials Project

Rh2MnPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh and six equivalent Pb atoms. All Mn–Rh bond lengths are 2.78 Å. All Mn–Pb bond lengths are 3.21 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.78 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Mn and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGeRh2 by Materials Project

Rh2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.64 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.64 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(SiRh)2 by Materials Project

PrRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Pr–Rh bond lengths are 3.29 Å. All Pr–Si bond lengths are 3.19 Å. Rh is bonded to four equivalent Pr and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4Si4 tetrahedra. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.57 Å.

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