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Title: Materials Data on Ca2Sb by Materials Project

Abstract

Ca2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. There are one shorter (3.18 Å) and four longer (3.45 Å) Ca–Sb bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Ca–Sb bond lengths are 3.30 Å. Sb is bonded in a 9-coordinate geometry to nine Ca atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1316988
Report Number(s):
mp-9925
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ca2Sb; Ca-Sb

Citation Formats

The Materials Project. Materials Data on Ca2Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316988.
The Materials Project. Materials Data on Ca2Sb by Materials Project. United States. https://doi.org/10.17188/1316988
The Materials Project. 2020. "Materials Data on Ca2Sb by Materials Project". United States. https://doi.org/10.17188/1316988. https://www.osti.gov/servlets/purl/1316988.
@article{osti_1316988,
title = {Materials Data on Ca2Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five equivalent Sb atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. There are one shorter (3.18 Å) and four longer (3.45 Å) Ca–Sb bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Ca–Sb bond lengths are 3.30 Å. Sb is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1316988},
url = {https://www.osti.gov/biblio/1316988}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}