U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2La2B2O7 by Materials Project
Abstract
K2La2(BO3)2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.86 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.01 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.66 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.79 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å.more »
- Publication Date:
- Other Number(s):
- mp-1019777
- 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-K-La-O; K2La2B2O7; crystal structure
- OSTI Identifier:
- 1350905
- DOI:
- https://doi.org/10.17188/1350905
Citation Formats
Materials Data on K2La2B2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350905.
Materials Data on K2La2B2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1350905
2020.
"Materials Data on K2La2B2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1350905. https://www.osti.gov/servlets/purl/1350905. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1350905,
title = {Materials Data on K2La2B2O7 by Materials Project},
abstractNote = {K2La2(BO3)2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.86 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.01 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.66 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.79 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one La3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, three La3+, and one B3+ atom. In the fourth O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one La3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four K1+, one La3+, and one B3+ atom.},
doi = {10.17188/1350905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}