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Title: Materials Data on RbSmGeSe4 by Materials Project

Abstract

RbSmGeSe4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–4.01 Å. Sm3+ is bonded to seven Se2- atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent SmSe7 pentagonal bipyramids, a cornercorner with one GeSe4 tetrahedra, edges with two equivalent SmSe7 pentagonal bipyramids, and edges with three equivalent GeSe4 tetrahedra. There are a spread of Sm–Se bond distances ranging from 2.99–3.12 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share a cornercorner with one SmSe7 pentagonal bipyramid and edges with three equivalent SmSe7 pentagonal bipyramids. There are a spread of Ge–Se bond distances ranging from 2.36–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded to three equivalent Rb1+, one Sm3+, and one Ge4+ atom tomore » form distorted corner-sharing SeRb3SmGe trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-567873
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; RbSmGeSe4; Ge-Rb-Se-Sm
OSTI Identifier:
1274091
DOI:
10.17188/1274091

Citation Formats

The Materials Project. Materials Data on RbSmGeSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274091.
The Materials Project. Materials Data on RbSmGeSe4 by Materials Project. United States. doi:10.17188/1274091.
The Materials Project. 2020. "Materials Data on RbSmGeSe4 by Materials Project". United States. doi:10.17188/1274091. https://www.osti.gov/servlets/purl/1274091. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1274091,
title = {Materials Data on RbSmGeSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSmGeSe4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–4.01 Å. Sm3+ is bonded to seven Se2- atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent SmSe7 pentagonal bipyramids, a cornercorner with one GeSe4 tetrahedra, edges with two equivalent SmSe7 pentagonal bipyramids, and edges with three equivalent GeSe4 tetrahedra. There are a spread of Sm–Se bond distances ranging from 2.99–3.12 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share a cornercorner with one SmSe7 pentagonal bipyramid and edges with three equivalent SmSe7 pentagonal bipyramids. There are a spread of Ge–Se bond distances ranging from 2.36–2.39 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted see-saw-like geometry to one Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded to three equivalent Rb1+, one Sm3+, and one Ge4+ atom to form distorted corner-sharing SeRb3SmGe trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Sm3+, and one Ge4+ atom.},
doi = {10.17188/1274091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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