Materials Data on Na2B4O17 by Materials Project
Abstract
Na2B4O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.21–3.01 Å. In the second Na site, Na is bonded in a hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.61–2.90 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.38–1.42 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.31–1.48 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one B atom. In the third O site, Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180429
- 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; Na2B4O17; B-Na-O
- OSTI Identifier:
- 1695421
- DOI:
- https://doi.org/10.17188/1695421
Citation Formats
The Materials Project. Materials Data on Na2B4O17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695421.
The Materials Project. Materials Data on Na2B4O17 by Materials Project. United States. doi:https://doi.org/10.17188/1695421
The Materials Project. 2020.
"Materials Data on Na2B4O17 by Materials Project". United States. doi:https://doi.org/10.17188/1695421. https://www.osti.gov/servlets/purl/1695421. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1695421,
title = {Materials Data on Na2B4O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2B4O17 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.21–3.01 Å. In the second Na site, Na is bonded in a hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.61–2.90 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.38–1.42 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.31–1.48 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Na and one O atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. In the seventh O site, O is bonded in an L-shaped geometry to two equivalent B atoms. In the eighth O site, O is bonded in a water-like geometry to two B atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two B atoms.},
doi = {10.17188/1695421},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}