Materials Data on Si6BiO14 by Materials Project
Abstract
Si6BiO14 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent BiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–67°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one BiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.63 Å. Bi is bonded to six O atoms to form distorted BiO6 octahedra that share corners with six SiO4 tetrahedra and edges with twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-850220
- 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; Si6BiO14; Bi-O-Si
- OSTI Identifier:
- 1308585
- DOI:
- https://doi.org/10.17188/1308585
Citation Formats
The Materials Project. Materials Data on Si6BiO14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308585.
The Materials Project. Materials Data on Si6BiO14 by Materials Project. United States. doi:https://doi.org/10.17188/1308585
The Materials Project. 2020.
"Materials Data on Si6BiO14 by Materials Project". United States. doi:https://doi.org/10.17188/1308585. https://www.osti.gov/servlets/purl/1308585. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1308585,
title = {Materials Data on Si6BiO14 by Materials Project},
author = {The Materials Project},
abstractNote = {Si6BiO14 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent BiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–67°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one BiO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the third Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the fourth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.63 Å. Bi is bonded to six O atoms to form distorted BiO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.13–2.48 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Si and one Bi atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifth O site, O is bonded in a 1-coordinate geometry to one Si and two equivalent Bi atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.},
doi = {10.17188/1308585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}