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Title: Materials Data on Ca2MgAg3 by Materials Project

Abstract

Ca2MgAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to four equivalent Ca, three equivalent Mg, and nine equivalent Ag atoms. There are one shorter (3.46 Å) and three longer (3.63 Å) Ca–Ca bond lengths. All Ca–Mg bond lengths are 3.51 Å. There are three shorter (3.28 Å) and six longer (3.47 Å) Ca–Ag bond lengths. Mg is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of distorted face and edge-sharing MgCa6Ag6 cuboctahedra. All Mg–Ag bond lengths are 2.87 Å. Ag is bonded in a 12-coordinate geometry to six equivalent Ca, two equivalent Mg, and four equivalent Ag atoms. There are two shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths.

Publication Date:
Other Number(s):
mp-1227417
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; Ca2MgAg3; Ag-Ca-Mg
OSTI Identifier:
1715150
DOI:
https://doi.org/10.17188/1715150

Citation Formats

The Materials Project. Materials Data on Ca2MgAg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715150.
The Materials Project. Materials Data on Ca2MgAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1715150
The Materials Project. 2020. "Materials Data on Ca2MgAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1715150. https://www.osti.gov/servlets/purl/1715150. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1715150,
title = {Materials Data on Ca2MgAg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2MgAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to four equivalent Ca, three equivalent Mg, and nine equivalent Ag atoms. There are one shorter (3.46 Å) and three longer (3.63 Å) Ca–Ca bond lengths. All Ca–Mg bond lengths are 3.51 Å. There are three shorter (3.28 Å) and six longer (3.47 Å) Ca–Ag bond lengths. Mg is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of distorted face and edge-sharing MgCa6Ag6 cuboctahedra. All Mg–Ag bond lengths are 2.87 Å. Ag is bonded in a 12-coordinate geometry to six equivalent Ca, two equivalent Mg, and four equivalent Ag atoms. There are two shorter (2.97 Å) and two longer (3.05 Å) Ag–Ag bond lengths.},
doi = {10.17188/1715150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}