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Title: Materials Data on Ca3Nd by Materials Project

Abstract

Ca3Nd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Nd atoms. All Ca–Ca bond lengths are 3.70 Å. All Ca–Nd bond lengths are 3.70 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Nd atoms. All Ca–Nd bond lengths are 4.27 Å. Nd is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183491
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; Ca3Nd; Ca-Nd
OSTI Identifier:
1739059
DOI:
https://doi.org/10.17188/1739059

Citation Formats

The Materials Project. Materials Data on Ca3Nd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739059.
The Materials Project. Materials Data on Ca3Nd by Materials Project. United States. doi:https://doi.org/10.17188/1739059
The Materials Project. 2020. "Materials Data on Ca3Nd by Materials Project". United States. doi:https://doi.org/10.17188/1739059. https://www.osti.gov/servlets/purl/1739059. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1739059,
title = {Materials Data on Ca3Nd by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Nd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Nd atoms. All Ca–Ca bond lengths are 3.70 Å. All Ca–Nd bond lengths are 3.70 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Nd atoms. All Ca–Nd bond lengths are 4.27 Å. Nd is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.},
doi = {10.17188/1739059},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}