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Title: Materials Data on SrCa3Si4 by Materials Project

Abstract

SrCa3Si4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Sr–Si bond distances ranging from 3.16–3.27 Å. There are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are five shorter (3.13 Å) and two longer (3.19 Å) Ca–Si bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Ca–Si bond distances ranging from 3.13–3.33 Å. In the third Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Ca–Si bond distances ranging from 3.12–3.17 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to one Sr2+, six Ca2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Sr2+, five Ca2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si2- site, Si2- is bondedmore » in a 9-coordinate geometry to four equivalent Sr2+, three Ca2+, and two equivalent Si2- atoms. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to seven Ca2+ and two equivalent Si2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1218362
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrCa3Si4; Ca-Si-Sr
OSTI Identifier:
1711631
DOI:
https://doi.org/10.17188/1711631

Citation Formats

The Materials Project. Materials Data on SrCa3Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711631.
The Materials Project. Materials Data on SrCa3Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1711631
The Materials Project. 2020. "Materials Data on SrCa3Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1711631. https://www.osti.gov/servlets/purl/1711631. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1711631,
title = {Materials Data on SrCa3Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCa3Si4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Sr–Si bond distances ranging from 3.16–3.27 Å. There are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are five shorter (3.13 Å) and two longer (3.19 Å) Ca–Si bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Ca–Si bond distances ranging from 3.13–3.33 Å. In the third Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven Si2- atoms. There are a spread of Ca–Si bond distances ranging from 3.12–3.17 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to one Sr2+, six Ca2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Sr2+, five Ca2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, three Ca2+, and two equivalent Si2- atoms. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to seven Ca2+ and two equivalent Si2- atoms.},
doi = {10.17188/1711631},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}