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Title: Materials Data on KCaBi by Materials Project

Abstract

KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca atoms.

Publication Date:
Other Number(s):
mp-773137
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; KCaBi; Bi-Ca-K
OSTI Identifier:
1301610
DOI:
10.17188/1301610

Citation Formats

The Materials Project. Materials Data on KCaBi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301610.
The Materials Project. Materials Data on KCaBi by Materials Project. United States. doi:10.17188/1301610.
The Materials Project. 2020. "Materials Data on KCaBi by Materials Project". United States. doi:10.17188/1301610. https://www.osti.gov/servlets/purl/1301610. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1301610,
title = {Materials Data on KCaBi by Materials Project},
author = {The Materials Project},
abstractNote = {KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca atoms.},
doi = {10.17188/1301610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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