U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2(BO3)3 by Materials Project
Abstract
Bi2(BO3)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with four BiO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of B–O bond distances ranging from 1.43–1.52 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with four BiO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of B–O bond distances ranging from 1.43–1.52 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six BO4 tetrahedra and edges with three equivalent BiO6 octahedra. There are three shorter (2.28 Å) and three longer (2.30 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six BO4 tetrahedra and edges with three equivalent BiO6 octahedra. There aremore »
- Publication Date:
- Other Number(s):
- mp-755446
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Bi-O; Bi2(BO3)3; crystal structure
- OSTI Identifier:
- 1289992
- DOI:
- https://doi.org/10.17188/1289992
Citation Formats
Materials Data on Bi2(BO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289992.
Materials Data on Bi2(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1289992
2020.
"Materials Data on Bi2(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1289992. https://www.osti.gov/servlets/purl/1289992. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289992,
title = {Materials Data on Bi2(BO3)3 by Materials Project},
abstractNote = {Bi2(BO3)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with four BiO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of B–O bond distances ranging from 1.43–1.52 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with four BiO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of B–O bond distances ranging from 1.43–1.52 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six BO4 tetrahedra and edges with three equivalent BiO6 octahedra. There are three shorter (2.28 Å) and three longer (2.30 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six BO4 tetrahedra and edges with three equivalent BiO6 octahedra. There are three shorter (2.24 Å) and three longer (2.26 Å) Bi–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent B atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one B and two Bi atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent B atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one B and two Bi atoms.},
doi = {10.17188/1289992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}