U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K4Ba2SnP4 by Materials Project
Abstract
K4Ba2SnP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of K–P bond distances ranging from 3.37–3.66 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.24–3.50 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.25–3.42 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.29–3.52 Å. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five P3- atoms to form distorted BaP5 square pyramids that share corners with two equivalent BaP5 square pyramids, a cornercorner with one SnP4 tetrahedra, and edges with two equivalent SnP4 tetrahedra. There are a spread of Ba–P bond distances ranging from 3.29–3.54 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224114
- 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; K4Ba2SnP4; Ba-K-P-Sn
- OSTI Identifier:
- 1695983
- DOI:
- https://doi.org/10.17188/1695983
Citation Formats
The Materials Project. Materials Data on K4Ba2SnP4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695983.
The Materials Project. Materials Data on K4Ba2SnP4 by Materials Project. United States. doi:https://doi.org/10.17188/1695983
The Materials Project. 2020.
"Materials Data on K4Ba2SnP4 by Materials Project". United States. doi:https://doi.org/10.17188/1695983. https://www.osti.gov/servlets/purl/1695983. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1695983,
title = {Materials Data on K4Ba2SnP4 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Ba2SnP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of K–P bond distances ranging from 3.37–3.66 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.24–3.50 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.25–3.42 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.29–3.52 Å. There are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five P3- atoms to form distorted BaP5 square pyramids that share corners with two equivalent BaP5 square pyramids, a cornercorner with one SnP4 tetrahedra, and edges with two equivalent SnP4 tetrahedra. There are a spread of Ba–P bond distances ranging from 3.29–3.54 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Ba–P bond distances ranging from 3.28–3.81 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share a cornercorner with one BaP5 square pyramid and edges with two equivalent BaP5 square pyramids. There are a spread of Sn–P bond distances ranging from 2.56–2.61 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to five K1+, two equivalent Ba2+, and one Sn4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to four K1+, three Ba2+, and one Sn4+ atom. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four K1+, three Ba2+, and one Sn4+ atom. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to four K1+, three Ba2+, and one Sn4+ atom.},
doi = {10.17188/1695983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}