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Title: Materials Data on Na7Ga13 by Materials Project

Abstract

Ga13Na7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.14–3.43 Å. In the second Na site, Na is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.21–3.35 Å. In the third Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.08–3.22 Å. In the fourth Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 2.99–3.32 Å. In the fifth Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.09–3.21 Å. In the sixth Na site, Na is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.11–3.31 Å. In the seventh Na site, Na is bonded in a 6-coordinate geometry to sixmore » equivalent Ga atoms. All Na–Ga bond lengths are 3.09 Å. In the eighth Na site, Na is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.12–3.39 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to five Na and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.71 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Na and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.95 Å. In the third Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are one shorter (2.70 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to seven Na and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.89 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to five Na and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.87 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to six Na and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.86 Å. In the seventh Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are one shorter (2.63 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.77 Å. In the ninth Ga site, Ga is bonded in a 11-coordinate geometry to five Na and six Ga atoms. In the tenth Ga site, Ga is bonded in a 9-coordinate geometry to five Na and four Ga atoms.« less

Publication Date:
Other Number(s):
mp-571095
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; Na7Ga13; Ga-Na
OSTI Identifier:
1276087
DOI:
10.17188/1276087

Citation Formats

The Materials Project. Materials Data on Na7Ga13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276087.
The Materials Project. Materials Data on Na7Ga13 by Materials Project. United States. doi:10.17188/1276087.
The Materials Project. 2020. "Materials Data on Na7Ga13 by Materials Project". United States. doi:10.17188/1276087. https://www.osti.gov/servlets/purl/1276087. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1276087,
title = {Materials Data on Na7Ga13 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga13Na7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are eight inequivalent Na sites. In the first Na site, Na is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.14–3.43 Å. In the second Na site, Na is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.21–3.35 Å. In the third Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.08–3.22 Å. In the fourth Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 2.99–3.32 Å. In the fifth Na site, Na is bonded in a 12-coordinate geometry to twelve Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.09–3.21 Å. In the sixth Na site, Na is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.11–3.31 Å. In the seventh Na site, Na is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Na–Ga bond lengths are 3.09 Å. In the eighth Na site, Na is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Na–Ga bond distances ranging from 3.12–3.39 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to five Na and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.71 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six Na and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.95 Å. In the third Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are one shorter (2.70 Å) and two longer (2.75 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to seven Na and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.89 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to five Na and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.87 Å. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to six Na and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.86 Å. In the seventh Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are one shorter (2.63 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a distorted q6 geometry to five Na and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–2.77 Å. In the ninth Ga site, Ga is bonded in a 11-coordinate geometry to five Na and six Ga atoms. In the tenth Ga site, Ga is bonded in a 9-coordinate geometry to five Na and four Ga atoms.},
doi = {10.17188/1276087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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