skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ca2As by Materials Project

Abstract

Ca2As 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 in a distorted square co-planar geometry to four equivalent As atoms. All Ca–As bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.96 Å) and four longer (3.31 Å) Ca–As bond lengths. As is bonded in a 9-coordinate geometry to nine Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-10106
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; Ca2As; As-Ca
OSTI Identifier:
1186092
DOI:
10.17188/1186092

Citation Formats

Persson, Kristin. Materials Data on Ca2As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186092.
Persson, Kristin. Materials Data on Ca2As by Materials Project. United States. doi:10.17188/1186092.
Persson, Kristin. 2020. "Materials Data on Ca2As by Materials Project". United States. doi:10.17188/1186092. https://www.osti.gov/servlets/purl/1186092. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186092,
title = {Materials Data on Ca2As by Materials Project},
author = {Persson, Kristin},
abstractNote = {Ca2As 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 in a distorted square co-planar geometry to four equivalent As atoms. All Ca–As bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.96 Å) and four longer (3.31 Å) Ca–As bond lengths. As is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1186092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: