U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm(BO2)3 by Materials Project
Abstract
Tm(BO2)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.50 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.84 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.58 Å. In the fourth Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.65 Å. There are six inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.53 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.45 Å) and two longer (1.53 Å) B–O bond length. In the third B3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-680717
- 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; Tm(BO2)3; B-O-Tm
- OSTI Identifier:
- 1283718
- DOI:
- https://doi.org/10.17188/1283718
Citation Formats
The Materials Project. Materials Data on Tm(BO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283718.
The Materials Project. Materials Data on Tm(BO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1283718
The Materials Project. 2020.
"Materials Data on Tm(BO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1283718. https://www.osti.gov/servlets/purl/1283718. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1283718,
title = {Materials Data on Tm(BO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm(BO2)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.50 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.84 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.58 Å. In the fourth Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.65 Å. There are six inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.53 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.45 Å) and two longer (1.53 Å) B–O bond length. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.54 Å. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. In the sixth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is three shorter (1.47 Å) and one longer (1.48 Å) B–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Tm3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two equivalent B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tm3+ and two equivalent B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two equivalent B3+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Tm3+ and one B3+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Tm3+ and two equivalent B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tm3+ and two B3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two B3+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to two Tm3+ and two equivalent B3+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and two equivalent B3+ atoms. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two B3+ atoms.},
doi = {10.17188/1283718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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