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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↗

Materials Data on La3Si2Rh3 by Materials Project

La3Rh3Si2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 4-coordinate geometry to six Rh and three equivalent Si atoms. There are a spread of La–Rh bond distances ranging from 3.02–3.39 Å. There are a spread of La–Si bond distances ranging from 3.17–3.23 Å. In the second La site, La is bonded in a 2-coordinate geometry to five Rh and four equivalent Si atoms. There are a spread of La–Rh bond distances ranging from 2.91–3.50 Å. There are two shorter (3.20 Å) and two longer (3.27 Å) La–Si bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five La and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.42–2.46 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to seven La and two equivalent Si atoms. Both Rh–Si bond lengths are 2.65 Å. Si is bonded in a 4-coordinate geometry to five La and four Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on La2Si5Rh3 by Materials Project

La2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of La–Rh bond distances ranging from 3.18–3.45 Å. There are a spread of La–Si bond distances ranging from 3.07–3.27 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.48 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent La and six Si atoms. There are four shorter (2.47 Å) and two longer (2.69 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.54 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗

Materials Data on La2Si3Rh by Materials Project

La2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to twelve equivalent Si atoms to form LaSi12 cuboctahedra that share edges with twelve equivalent LaSi8Rh4 cuboctahedra and faces with eight LaSi12 cuboctahedra. There are six shorter (3.21 Å) and six longer (3.23 Å) La–Si bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of face and edge-sharing LaSi8Rh4 cuboctahedra. There are two shorter (3.21 Å) and two longer (3.24 Å) La–Rh bond lengths. There are four shorter (3.22 Å) and four longer (3.25 Å) La–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Si atoms. All Rh–Si bond lengths are 2.42 Å. Si is bonded in a 1-coordinate geometry to six La, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.40 Å.

36 MATERIALS SCIENCE↗

Materials Data on LaSiRh by Materials Project

LaRhSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Rh and four equivalent Si atoms. There are three shorter (3.17 Å) and one longer (3.22 Å) La–Rh bond lengths. There are one shorter (3.28 Å) and three longer (3.31 Å) La–Si bond lengths. Rh is bonded in a 3-coordinate geometry to four equivalent La and three equivalent Si atoms. All Rh–Si bond lengths are 2.34 Å. Si is bonded in a 3-coordinate geometry to four equivalent La and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaSi3Rh by Materials Project

LaRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.39 Å) and one longer (3.42 Å) La–Rh bond lengths. There are a spread of La–Si bond distances ranging from 3.14–3.37 Å. Rh is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. All Rh–Si bond lengths are 2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent La, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Rh, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗