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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on CeRh3C by Materials Project

CeRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Ce–Rh bond lengths are 2.99 Å. Rh is bonded to four equivalent Ce and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RhCe4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.11 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent CeRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoAsRh by Materials Project

RhCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rh is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent As atoms. There are a spread of Rh–Co bond distances ranging from 2.81–2.87 Å. There are a spread of Rh–As bond distances ranging from 2.48–2.67 Å. Co is bonded in a 4-coordinate geometry to six equivalent Rh and four equivalent As atoms. There are two shorter (2.31 Å) and two longer (2.38 Å) Co–As bond lengths. As is bonded in a 9-coordinate geometry to five equivalent Rh and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSiRh by Materials Project

MnRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Mn–Rh bond distances ranging from 2.79–2.89 Å. There are a spread of Mn–Si bond distances ranging from 2.61–2.69 Å. Rh is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.36–2.42 Å. Si is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu(SiRh)2 by Materials Project

Pu(RhSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Pu–Rh bond lengths are 3.23 Å. All Pu–Si bond lengths are 3.08 Å. Rh is bonded to four equivalent Pu and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing RhPu4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Pu, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoRh3C by Materials Project

HoRh3C 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 CRh6 octahedra. All Ho–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Ho and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing RhHo4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.09 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent HoRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGeRh by Materials Project

HoRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Ho–Rh bond distances ranging from 3.01–3.34 Å. There are a spread of Ho–Ge bond distances ranging from 3.00–3.02 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.64 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGeRh by Materials Project

TmRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Tm–Rh bond distances ranging from 2.99–3.31 Å. There are a spread of Tm–Ge bond distances ranging from 2.98–3.00 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSiRh by Materials Project

LuRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Lu–Rh bond distances ranging from 2.95–3.24 Å. There are a spread of Lu–Si bond distances ranging from 2.92–2.95 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Si atoms. There are three shorter (2.48 Å) and one longer (2.57 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGeRh by Materials Project

TbRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Tb–Rh bond distances ranging from 3.01–3.37 Å. There are a spread of Tb–Ge bond distances ranging from 3.02–3.04 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.65 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li4H5Rh by Materials Project

Li4RhH5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to five H atoms to form distorted LiH5 trigonal bipyramids that share corners with two equivalent RhH6 octahedra, corners with five LiH5 trigonal bipyramids, edges with two equivalent RhH6 octahedra, and edges with five LiH5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 29–48°. There are a spread of Li–H bond distances ranging from 1.90–2.14 Å. In the second Li site, Li is bonded to five H atoms to form LiH5 trigonal bipyramids that share corners with two equivalent RhH6 octahedra, corners with five LiH5 trigonal bipyramids, edges with two equivalent RhH6 octahedra, and edges with five LiH5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 37–56°. There are a spread of Li–H bond distances ranging from 1.94–2.11 Å. Rh is bonded to six H atoms to form RhH6 octahedra that share corners with two equivalent RhH6 octahedra, corners with eight LiH5 trigonal bipyramids, and edges with eight LiH5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Rh–H bond distances ranging from 1.75–1.95 Å. There are three inequivalent H sites. In the first H site, H is bonded to four Li and two equivalent Rh atoms to form distorted HLi4Rh2 octahedra that share corners with two equivalent HLi4Rh2 octahedra, corners with eight HLi4Rh trigonal bipyramids, and edges with eight HLi4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the second H site, H is bonded to four Li and one Rh atom to form distorted HLi4Rh trigonal bipyramids that share corners with two equivalent HLi4Rh2 octahedra, corners with five HLi4Rh trigonal bipyramids, edges with two equivalent HLi4Rh2 octahedra, and edges with five HLi4Rh trigonal bipyramids. The corner-sharing octahedra tilt angles range from 40–63°. In the third H site, H is bonded to four Li and one Rh atom to form HLi4Rh trigonal bipyramids that share corners with two equivalent HLi4Rh2 octahedra, corners with five HLi4Rh trigonal bipyramids, edges with two equivalent HLi4Rh2 octahedra, and edges with five HLi4Rh trigonal bipyramids. The corner-sharing octahedra tilt angles range from 31–56°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaB2Rh3 by Materials Project

CaRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to two equivalent Ca, twelve equivalent Rh, and six equivalent B atoms. Both Ca–Ca bond lengths are 2.93 Å. All Ca–Rh bond lengths are 3.17 Å. All Ca–B bond lengths are 3.24 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Ca and four equivalent B atoms. All Rh–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(GeRh)2 by Materials Project

TbRh2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Tb–Rh bond lengths are 3.33 Å. All Tb–Ge bond lengths are 3.19 Å. Rh is bonded to four equivalent Tb and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing RhTb4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiRh)2 by Materials Project

Dy(RhSi)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 Si atoms. All Dy–Rh bond lengths are 3.22 Å. All Dy–Si bond lengths are 3.12 Å. Rh is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RhDy4Si4 tetrahedra. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(GeRh)2 by Materials Project

PrRh2Ge2 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 Ge atoms. All Pr–Rh bond lengths are 3.38 Å. All Pr–Ge bond lengths are 3.25 Å. Rh is bonded to four equivalent Pr and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhPr4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmB2Rh3 by Materials Project

SmRh3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Rh, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.14 Å. All Sm–Rh bond lengths are 3.16 Å. All Sm–B bond lengths are 3.16 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Sm and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YBRh3 by Materials Project

YRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Rh atoms to form YRh12 cuboctahedra that share corners with twelve equivalent YRh12 cuboctahedra, faces with six equivalent YRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Y–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Y and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhY4B2 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 YRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSi2Rh3 by Materials Project

LaRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All La–Rh bond lengths are 3.37 Å. All La–Si bond lengths are 3.26 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent Si atoms. All Rh–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSi2Rh3 by Materials Project

NdRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Nd–Rh bond lengths are 3.35 Å. All Nd–Si bond lengths are 3.23 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent Si atoms. All Rh–Si bond lengths are 2.45 Å. Si is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Rh atoms.

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