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Title: Materials Data on K2B(PO4)2 by Materials Project

Abstract

K2B(PO4)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.79–3.00 Å. B is bonded to four equivalent O atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one B, and one P atom.

Publication Date:
Other Number(s):
mp-1211975
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; K2B(PO4)2; B-K-O-P
OSTI Identifier:
1744888
DOI:
https://doi.org/10.17188/1744888

Citation Formats

The Materials Project. Materials Data on K2B(PO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744888.
The Materials Project. Materials Data on K2B(PO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744888
The Materials Project. 2020. "Materials Data on K2B(PO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744888. https://www.osti.gov/servlets/purl/1744888. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744888,
title = {Materials Data on K2B(PO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2B(PO4)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.79–3.00 Å. B is bonded to four equivalent O atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.47 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one K, one B, and one P atom.},
doi = {10.17188/1744888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}