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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmClO by Materials Project

SmOCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Sm–O bond lengths are 2.32 Å. There are one shorter (3.10 Å) and four longer (3.15 Å) Sm–Cl bond lengths. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to five equivalent Sm3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4Cl6O by Materials Project

Sm4OCl6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to one O2- and five Cl1- atoms. The Sm–O bond length is 2.25 Å. There are a spread of Sm–Cl bond distances ranging from 2.82–2.93 Å. In the second Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to one O2- and six Cl1- atoms. The Sm–O bond length is 2.34 Å. There are three shorter (2.98 Å) and three longer (2.99 Å) Sm–Cl bond lengths. O2- is bonded to four Sm2+ atoms to form OSm4 trigonal pyramids that share corners with six equivalent ClSm4 tetrahedra and edges with three equivalent ClSm4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Sm2+ atoms. In the second Cl1- site, Cl1- is bonded to four Sm2+ atoms to form distorted ClSm4 tetrahedra that share corners with eight equivalent ClSm4 tetrahedra, corners with two equivalent OSm4 trigonal pyramids, and an edgeedge with one OSm4 trigonal pyramid.

36 MATERIALS SCIENCE↗