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Title: Materials Data on CaGaN by Materials Project

Abstract

CaGaN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaGaN sheet oriented in the (0, 0, 1) direction. Ca is bonded to five equivalent N atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.41 Å) and four longer (2.55 Å) Ca–N bond lengths. Ga is bonded in a single-bond geometry to one N atom. The Ga–N bond length is 1.86 Å. N is bonded to five equivalent Ca and one Ga atom to form a mixture of corner and edge-sharing NCa5Ga octahedra. The corner-sharing octahedral tilt angles are 8°.

Publication Date:
Other Number(s):
mp-7263
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; CaGaN; Ca-Ga-N
OSTI Identifier:
1287627
DOI:
10.17188/1287627

Citation Formats

The Materials Project. Materials Data on CaGaN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287627.
The Materials Project. Materials Data on CaGaN by Materials Project. United States. doi:10.17188/1287627.
The Materials Project. 2020. "Materials Data on CaGaN by Materials Project". United States. doi:10.17188/1287627. https://www.osti.gov/servlets/purl/1287627. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287627,
title = {Materials Data on CaGaN by Materials Project},
author = {The Materials Project},
abstractNote = {CaGaN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaGaN sheet oriented in the (0, 0, 1) direction. Ca is bonded to five equivalent N atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.41 Å) and four longer (2.55 Å) Ca–N bond lengths. Ga is bonded in a single-bond geometry to one N atom. The Ga–N bond length is 1.86 Å. N is bonded to five equivalent Ca and one Ga atom to form a mixture of corner and edge-sharing NCa5Ga octahedra. The corner-sharing octahedral tilt angles are 8°.},
doi = {10.17188/1287627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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