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Title: Materials Data on Ca10Si3Pt7 by Materials Project

Abstract

Ca10Pt7Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to five Pt+1.14- and two equivalent Si4- atoms. There are a spread of Ca–Pt bond distances ranging from 2.93–3.17 Å. Both Ca–Si bond lengths are 3.11 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.14- atoms. All Ca–Pt bond lengths are 3.01 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to six equivalent Pt+1.14- and three equivalent Si4- atoms. All Ca–Pt bond lengths are 3.39 Å. All Ca–Si bond lengths are 3.20 Å. There are two inequivalent Pt+1.14- sites. In the first Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Si4- atoms. All Pt–Si bond lengths are 2.48 Å. In the second Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to eight Ca2+ and one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a 3-coordinate geometry to six Ca2+ and three Pt+1.14- atoms.

Publication Date:
Other Number(s):
mp-1205012
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; Ca10Si3Pt7; Ca-Pt-Si
OSTI Identifier:
1745165
DOI:
https://doi.org/10.17188/1745165

Citation Formats

The Materials Project. Materials Data on Ca10Si3Pt7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745165.
The Materials Project. Materials Data on Ca10Si3Pt7 by Materials Project. United States. doi:https://doi.org/10.17188/1745165
The Materials Project. 2020. "Materials Data on Ca10Si3Pt7 by Materials Project". United States. doi:https://doi.org/10.17188/1745165. https://www.osti.gov/servlets/purl/1745165. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1745165,
title = {Materials Data on Ca10Si3Pt7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca10Pt7Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to five Pt+1.14- and two equivalent Si4- atoms. There are a spread of Ca–Pt bond distances ranging from 2.93–3.17 Å. Both Ca–Si bond lengths are 3.11 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.14- atoms. All Ca–Pt bond lengths are 3.01 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to six equivalent Pt+1.14- and three equivalent Si4- atoms. All Ca–Pt bond lengths are 3.39 Å. All Ca–Si bond lengths are 3.20 Å. There are two inequivalent Pt+1.14- sites. In the first Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Si4- atoms. All Pt–Si bond lengths are 2.48 Å. In the second Pt+1.14- site, Pt+1.14- is bonded in a 9-coordinate geometry to eight Ca2+ and one Si4- atom. The Pt–Si bond length is 2.37 Å. Si4- is bonded in a 3-coordinate geometry to six Ca2+ and three Pt+1.14- atoms.},
doi = {10.17188/1745165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}