U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KSm(PO3)4 by Materials Project
Abstract
KSm(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.99 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.47 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sm3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sm3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-17439
- 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; KSm(PO3)4; K-O-P-Sm
- OSTI Identifier:
- 1192507
- DOI:
- https://doi.org/10.17188/1192507
Citation Formats
The Materials Project. Materials Data on KSm(PO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192507.
The Materials Project. Materials Data on KSm(PO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1192507
The Materials Project. 2020.
"Materials Data on KSm(PO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1192507. https://www.osti.gov/servlets/purl/1192507. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192507,
title = {Materials Data on KSm(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {KSm(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.79–2.99 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.47 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sm3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sm3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sm3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two P5+ atoms.},
doi = {10.17188/1192507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}