Materials Data on Na6Bi2B4AsO16 by Materials Project
Abstract
Na6B4Bi2AsO16 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, edges with two equivalent BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–84°. There are a spread of Na–O bond distances ranging from 2.43–2.55 Å. B is bonded in a trigonal planar geometry to three equivalent O atoms. All B–O bond lengths are 1.39 Å. Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share edges with six equivalent NaO6 octahedra. All Bi–O bond lengths are 2.25 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share edges with six equivalent NaO6 octahedra. All As–O bond lengths are 1.73 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one As atom to form edge-sharing ONa3As trigonal pyramids. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one B, and one Bi atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-780412
- 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; Na6Bi2B4AsO16; As-B-Bi-Na-O
- OSTI Identifier:
- 1307009
- DOI:
- https://doi.org/10.17188/1307009
Citation Formats
The Materials Project. Materials Data on Na6Bi2B4AsO16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307009.
The Materials Project. Materials Data on Na6Bi2B4AsO16 by Materials Project. United States. doi:https://doi.org/10.17188/1307009
The Materials Project. 2020.
"Materials Data on Na6Bi2B4AsO16 by Materials Project". United States. doi:https://doi.org/10.17188/1307009. https://www.osti.gov/servlets/purl/1307009. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1307009,
title = {Materials Data on Na6Bi2B4AsO16 by Materials Project},
author = {The Materials Project},
abstractNote = {Na6B4Bi2AsO16 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with eight equivalent NaO6 octahedra, edges with two equivalent BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–84°. There are a spread of Na–O bond distances ranging from 2.43–2.55 Å. B is bonded in a trigonal planar geometry to three equivalent O atoms. All B–O bond lengths are 1.39 Å. Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share edges with six equivalent NaO6 octahedra. All Bi–O bond lengths are 2.25 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share edges with six equivalent NaO6 octahedra. All As–O bond lengths are 1.73 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one As atom to form edge-sharing ONa3As trigonal pyramids. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na, one B, and one Bi atom.},
doi = {10.17188/1307009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}