Materials Data on Na2BiO3 by Materials Project
Abstract
Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are two shorter (2.40 Å) and four longer (2.61 Å) Na–O bond lengths. In the third Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are four shorter (2.50 Å) and two longermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-777964
- 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; Na2BiO3; Bi-Na-O
- OSTI Identifier:
- 1305382
- DOI:
- https://doi.org/10.17188/1305382
Citation Formats
The Materials Project. Materials Data on Na2BiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305382.
The Materials Project. Materials Data on Na2BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1305382
The Materials Project. 2020.
"Materials Data on Na2BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1305382. https://www.osti.gov/servlets/purl/1305382. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1305382,
title = {Materials Data on Na2BiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent BiO6 octahedra, edges with four equivalent BiO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are two shorter (2.40 Å) and four longer (2.61 Å) Na–O bond lengths. In the third Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are four shorter (2.50 Å) and two longer (2.51 Å) Na–O bond lengths. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent BiO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are a spread of Bi–O bond distances ranging from 2.27–2.29 Å. There are two inequivalent O sites. In the first O site, O is bonded to four Na and two equivalent Bi atoms to form a mixture of edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to four Na and two equivalent Bi atoms to form a mixture of edge and corner-sharing ONa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.},
doi = {10.17188/1305382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}