DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmCrGeO5 by Materials Project

Abstract

SmCrGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.56 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.04 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Ge–O bond distances ranging from 1.77–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+, one Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OSm2Cr2 trigonalmore » pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-1208812
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; SmCrGeO5; Cr-Ge-O-Sm
OSTI Identifier:
1727106
DOI:
https://doi.org/10.17188/1727106

Citation Formats

The Materials Project. Materials Data on SmCrGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727106.
The Materials Project. Materials Data on SmCrGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1727106
The Materials Project. 2020. "Materials Data on SmCrGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1727106. https://www.osti.gov/servlets/purl/1727106. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727106,
title = {Materials Data on SmCrGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCrGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.56 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.98–2.04 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Ge–O bond distances ranging from 1.77–1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+, one Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OSm2Cr2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1727106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}