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Title: Materials Data on KP by Materials Project

Abstract

PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 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 P1- atoms. There are a spread of K–P bond distances ranging from 3.24–3.67 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of K–P bond distances ranging from 3.20–3.34 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent P1- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P1- atoms.

Publication Date:
Other Number(s):
mp-7441
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; KP; K-P
OSTI Identifier:
1288187
DOI:
https://doi.org/10.17188/1288187

Citation Formats

The Materials Project. Materials Data on KP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288187.
The Materials Project. Materials Data on KP by Materials Project. United States. doi:https://doi.org/10.17188/1288187
The Materials Project. 2020. "Materials Data on KP by Materials Project". United States. doi:https://doi.org/10.17188/1288187. https://www.osti.gov/servlets/purl/1288187. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1288187,
title = {Materials Data on KP by Materials Project},
author = {The Materials Project},
abstractNote = {PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 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 P1- atoms. There are a spread of K–P bond distances ranging from 3.24–3.67 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of K–P bond distances ranging from 3.20–3.34 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent P1- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P1- atoms.},
doi = {10.17188/1288187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}