Materials Data on Tm4(B2O5)3 by Materials Project
Abstract
Tm4(B2O5)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are a spread of Tm–O bond distances ranging from 2.18–2.38 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are three shorter (2.13 Å) and three longer (2.32 Å) Tm–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-756194
- 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; Tm4(B2O5)3; B-O-Tm
- OSTI Identifier:
- 1290439
- DOI:
- 10.17188/1290439
Citation Formats
The Materials Project. Materials Data on Tm4(B2O5)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290439.
The Materials Project. Materials Data on Tm4(B2O5)3 by Materials Project. United States. doi:10.17188/1290439.
The Materials Project. 2020.
"Materials Data on Tm4(B2O5)3 by Materials Project". United States. doi:10.17188/1290439. https://www.osti.gov/servlets/purl/1290439. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290439,
title = {Materials Data on Tm4(B2O5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm4(B2O5)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are a spread of Tm–O bond distances ranging from 2.18–2.38 Å. In the second Tm3+ site, Tm3+ is bonded to six O2- atoms to form edge-sharing TmO6 octahedra. There are three shorter (2.13 Å) and three longer (2.32 Å) Tm–O bond lengths. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Tm3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Tm3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one B3+ atom.},
doi = {10.17188/1290439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}