Materials Data on InTeO3F by Materials Project
Abstract
InTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In3+ is bonded to five O2- and one F1- atom to form corner-sharing InO5F octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There are a spread of In–O bond distances ranging from 2.15–2.29 Å. The In–F bond length is 2.24 Å. Te4+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.70 Å. There are one shorter (2.29 Å) and one longer (2.89 Å) Te–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. F1- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms.
- Publication Date:
- Other Number(s):
- mp-510727
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; InTeO3F; F-In-O-Te
- OSTI Identifier:
- 1263069
- DOI:
- https://doi.org/10.17188/1263069
Citation Formats
The Materials Project. Materials Data on InTeO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263069.
The Materials Project. Materials Data on InTeO3F by Materials Project. United States. doi:https://doi.org/10.17188/1263069
The Materials Project. 2020.
"Materials Data on InTeO3F by Materials Project". United States. doi:https://doi.org/10.17188/1263069. https://www.osti.gov/servlets/purl/1263069. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263069,
title = {Materials Data on InTeO3F by Materials Project},
author = {The Materials Project},
abstractNote = {InTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In3+ is bonded to five O2- and one F1- atom to form corner-sharing InO5F octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There are a spread of In–O bond distances ranging from 2.15–2.29 Å. The In–F bond length is 2.24 Å. Te4+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.70 Å. There are one shorter (2.29 Å) and one longer (2.89 Å) Te–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. F1- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms.},
doi = {10.17188/1263069},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}