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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↗
DOE OSTI2020

Materials Data on Sm(ClO4)3 by Materials Project

Sm(O4Cl)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.52 Å. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sm and one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the fourth O site, O is bonded in a water-like geometry to one Sm and one Cl atom. The O–Cl bond length is 1.48 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(ClO4)3 by Materials Project

Sm(O4Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.46 Å) and three longer (2.49 Å) Sm–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(ClO)3 by Materials Project

SmOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two SmOCl3 sheets oriented in the (0, 0, 1) direction. In each SmOCl3 sheet, Sm is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.34 Å) and one longer (2.46 Å) Sm–O bond lengths. There are a spread of Sm–Cl bond distances ranging from 2.61–2.86 Å. O is bonded in a linear geometry to two equivalent Sm atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Sm atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Sm atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Cl2O by Materials Project

Sm2OCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sm2OCl2 cluster. Sm2+ is bonded in a linear geometry to one O2- and one Cl1- atom. The Sm–O bond length is 2.13 Å. The Sm–Cl bond length is 2.52 Å. O2- is bonded in a linear geometry to two equivalent Sm2+ atoms. Cl1- is bonded in a single-bond geometry to one Sm2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmClO2 by Materials Project

SmO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to six O and three equivalent Cl atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.72 Å. There are two shorter (2.89 Å) and one longer (2.93 Å) Sm–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Sm and two equivalent O atoms. Both O–O bond lengths are 1.90 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Sm atoms. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm atoms.

36 MATERIALS SCIENCE↗