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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaPRh by Materials Project

LaRhP is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Rh and six equivalent P atoms to form a mixture of edge and face-sharing LaP6Rh6 cuboctahedra. There are two shorter (3.16 Å) and four longer (3.18 Å) La–Rh bond lengths. There are four shorter (3.15 Å) and two longer (3.22 Å) La–P bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Rh–P bond lengths are 2.40 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Rh–P bond lengths are 2.40 Å. In the third Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. There are two shorter (3.16 Å) and four longer (3.18 Å) Rh–La bond lengths. All Rh–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to six equivalent La and three Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2(PRh)3 by Materials Project

La2(RhP)3 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one La2(RhP)3 ribbon oriented in the (0, 0, 1) direction. La is bonded in a linear geometry to one Rh and one P atom. The La–Rh bond length is 2.17 Å. The La–P bond length is 2.80 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a linear geometry to one La and one P atom. The Rh–P bond length is 2.32 Å. In the second Rh site, Rh is bonded in a linear geometry to two equivalent P atoms. Both Rh–P bond lengths are 2.15 Å. There are two inequivalent P sites. In the first P site, P is bonded in a linear geometry to one La and one Rh atom. In the second P site, P is bonded in a linear geometry to two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La4P9Rh8 by Materials Project

La4Rh8P9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to nine Rh and eight P atoms. There are a spread of La–Rh bond distances ranging from 3.19–3.39 Å. There are a spread of La–P bond distances ranging from 3.14–3.17 Å. In the second La site, La is bonded in a 1-coordinate geometry to eight Rh and eight P atoms. There are a spread of La–Rh bond distances ranging from 3.14–3.36 Å. There are a spread of La–P bond distances ranging from 2.92–3.18 Å. In the third La site, La is bonded in a 10-coordinate geometry to nine Rh and twelve P atoms. There are a spread of La–Rh bond distances ranging from 3.22–3.75 Å. There are a spread of La–P bond distances ranging from 3.22–3.80 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four La and four P atoms. There are two shorter (2.32 Å) and two longer (2.40 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four La and four P atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Rh–P bond lengths. In the third Rh site, Rh is bonded in a 10-coordinate geometry to five La and five P atoms. There are four shorter (2.40 Å) and one longer (2.57 Å) Rh–P bond lengths. In the fourth Rh site, Rh is bonded in a 9-coordinate geometry to three La and six P atoms. There are four shorter (2.43 Å) and two longer (2.52 Å) Rh–P bond lengths. In the fifth Rh site, Rh is bonded in a 10-coordinate geometry to five La and five P atoms. There are three shorter (2.43 Å) and two longer (2.45 Å) Rh–P bond lengths. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four La and five Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to four La and five Rh atoms. In the third P site, P is bonded in a 8-coordinate geometry to four La and four Rh atoms. In the fourth P site, P is bonded in a 8-coordinate geometry to four La, three Rh, and one P atom. The P–P bond length is 2.10 Å.

36 MATERIALS SCIENCE↗