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Title: Materials Data on Ca2CuAg by Materials Project

Abstract

Ca2AgCu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ag and four equivalent Cu atoms. There are two shorter (3.11 Å) and one longer (3.25 Å) Ca–Ag bond lengths. All Ca–Cu bond lengths are 3.16 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ag and three equivalent Cu atoms. All Ca–Ag bond lengths are 3.17 Å. There are two shorter (3.12 Å) and one longer (3.24 Å) Ca–Cu bond lengths. Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Ag–Cu bond lengths are 2.74 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.

Authors:
Publication Date:
Other Number(s):
mp-1227346
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; Ca2CuAg; Ag-Ca-Cu
OSTI Identifier:
1705943
DOI:
https://doi.org/10.17188/1705943

Citation Formats

The Materials Project. Materials Data on Ca2CuAg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705943.
The Materials Project. Materials Data on Ca2CuAg by Materials Project. United States. doi:https://doi.org/10.17188/1705943
The Materials Project. 2020. "Materials Data on Ca2CuAg by Materials Project". United States. doi:https://doi.org/10.17188/1705943. https://www.osti.gov/servlets/purl/1705943. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705943,
title = {Materials Data on Ca2CuAg by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2AgCu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ag and four equivalent Cu atoms. There are two shorter (3.11 Å) and one longer (3.25 Å) Ca–Ag bond lengths. All Ca–Cu bond lengths are 3.16 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ag and three equivalent Cu atoms. All Ca–Ag bond lengths are 3.17 Å. There are two shorter (3.12 Å) and one longer (3.24 Å) Ca–Cu bond lengths. Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Ag–Cu bond lengths are 2.74 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.},
doi = {10.17188/1705943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}