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Title: Materials Data on Sr11Bi10 by Materials Project

Abstract

Sr11Bi10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to seven Bi atoms to form a mixture of distorted face, edge, and corner-sharing SrBi7 pentagonal bipyramids. There are a spread of Sr–Bi bond distances ranging from 3.43–3.87 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.23–3.99 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.80–3.95 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.43–3.74 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms. In the third Bi site, Bi is bonded in a 11-coordinate geometry to seven Sr and four Bi atoms. There are two shortermore » (3.32 Å) and two longer (3.53 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the fifth Bi site, Bi is bonded in a 10-coordinate geometry to eight Sr and two Bi atoms. The Bi–Bi bond length is 3.27 Å.« less

Publication Date:
Other Number(s):
mp-30305
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; Sr11Bi10; Bi-Sr
OSTI Identifier:
1204728
DOI:
https://doi.org/10.17188/1204728

Citation Formats

The Materials Project. Materials Data on Sr11Bi10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204728.
The Materials Project. Materials Data on Sr11Bi10 by Materials Project. United States. doi:https://doi.org/10.17188/1204728
The Materials Project. 2020. "Materials Data on Sr11Bi10 by Materials Project". United States. doi:https://doi.org/10.17188/1204728. https://www.osti.gov/servlets/purl/1204728. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204728,
title = {Materials Data on Sr11Bi10 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr11Bi10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded to seven Bi atoms to form a mixture of distorted face, edge, and corner-sharing SrBi7 pentagonal bipyramids. There are a spread of Sr–Bi bond distances ranging from 3.43–3.87 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.23–3.99 Å. In the third Sr site, Sr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.80–3.95 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.43–3.74 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms. In the third Bi site, Bi is bonded in a 11-coordinate geometry to seven Sr and four Bi atoms. There are two shorter (3.32 Å) and two longer (3.53 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to eight Sr atoms. In the fifth Bi site, Bi is bonded in a 10-coordinate geometry to eight Sr and two Bi atoms. The Bi–Bi bond length is 3.27 Å.},
doi = {10.17188/1204728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}