U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In(BO2)5 by Materials Project
Abstract
In(BO2)5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with twelve BO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.19–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with four BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with four BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. In the third B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.47 Å) B–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry tomore »
- Publication Date:
- Other Number(s):
- mp-1188835
- 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-In-O; In(BO2)5; crystal structure
- OSTI Identifier:
- 1718154
- DOI:
- https://doi.org/10.17188/1718154
Citation Formats
Materials Data on In(BO2)5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718154.
Materials Data on In(BO2)5 by Materials Project. United States. doi:https://doi.org/10.17188/1718154
2019.
"Materials Data on In(BO2)5 by Materials Project". United States. doi:https://doi.org/10.17188/1718154. https://www.osti.gov/servlets/purl/1718154. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1718154,
title = {Materials Data on In(BO2)5 by Materials Project},
abstractNote = {In(BO2)5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with twelve BO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.19–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with four BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–64°. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second B site, B is bonded to four O atoms to form BO4 tetrahedra that share corners with three equivalent InO6 octahedra and corners with four BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. In the third B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.47 Å) B–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one In and two B atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one In and two B atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one In and two B atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two B atoms.},
doi = {10.17188/1718154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 04:00:00 UTC 2019},
month = {Fri Jan 11 04:00:00 UTC 2019}
}