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Title: Materials Data on Ca2Cu by Materials Project

Abstract

Ca2Cu crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ca2Cu sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Cu atoms. There are two shorter (3.00 Å) and one longer (3.02 Å) Ca–Cu bond lengths. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four equivalent Cu atoms. There are a spread of Ca–Cu bond distances ranging from 3.03–3.33 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.52 Å.

Publication Date:
Other Number(s):
mp-12614
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; Ca2Cu; Ca-Cu
OSTI Identifier:
1189084
DOI:
https://doi.org/10.17188/1189084

Citation Formats

The Materials Project. Materials Data on Ca2Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189084.
The Materials Project. Materials Data on Ca2Cu by Materials Project. United States. doi:https://doi.org/10.17188/1189084
The Materials Project. 2020. "Materials Data on Ca2Cu by Materials Project". United States. doi:https://doi.org/10.17188/1189084. https://www.osti.gov/servlets/purl/1189084. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189084,
title = {Materials Data on Ca2Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2Cu crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ca2Cu sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Cu atoms. There are two shorter (3.00 Å) and one longer (3.02 Å) Ca–Cu bond lengths. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four equivalent Cu atoms. There are a spread of Ca–Cu bond distances ranging from 3.03–3.33 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.52 Å.},
doi = {10.17188/1189084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}