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Title: Materials Data on Sm3SbO7 by Materials Project

Abstract

Sm3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.70 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sm–O bond distances ranging from 2.28–2.55 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Sb5+ atom. In the second O2- site, O2- ismore » bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1191139
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm3SbO7; O-Sb-Sm
OSTI Identifier:
1737951
DOI:
https://doi.org/10.17188/1737951

Citation Formats

The Materials Project. Materials Data on Sm3SbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1737951.
The Materials Project. Materials Data on Sm3SbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1737951
The Materials Project. 2020. "Materials Data on Sm3SbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1737951. https://www.osti.gov/servlets/purl/1737951. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1737951,
title = {Materials Data on Sm3SbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.70 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sm–O bond distances ranging from 2.28–2.55 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.},
doi = {10.17188/1737951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}