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Title: Materials Data on K3P3O10 by Materials Project

Abstract

K3P3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.68–3.07 Å. In the second K site, K is bonded in a 5-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.62–3.21 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.34 Å. There are three inequivalent P sites. In the first P site, P is bonded in a bent 120 degrees geometry to two O atoms. Both P–O bond lengths are 1.51 Å. In the second P site, P is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the third P site, P is bonded in a bent 120 degrees geometry to two O atoms. Both P–O bond lengths are 1.50 Å. There are ten inequivalent O sites. In the first Omore » site, O is bonded in a distorted T-shaped geometry to two K and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two K atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one K and two O atoms. The O–O bond length is 1.34 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two K and one P atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1225883
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; K3P3O10; K-O-P
OSTI Identifier:
1731283
DOI:
https://doi.org/10.17188/1731283

Citation Formats

The Materials Project. Materials Data on K3P3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731283.
The Materials Project. Materials Data on K3P3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1731283
The Materials Project. 2020. "Materials Data on K3P3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1731283. https://www.osti.gov/servlets/purl/1731283. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731283,
title = {Materials Data on K3P3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {K3P3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.68–3.07 Å. In the second K site, K is bonded in a 5-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.62–3.21 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.34 Å. There are three inequivalent P sites. In the first P site, P is bonded in a bent 120 degrees geometry to two O atoms. Both P–O bond lengths are 1.51 Å. In the second P site, P is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.50 Å) and one longer (1.51 Å) P–O bond length. In the third P site, P is bonded in a bent 120 degrees geometry to two O atoms. Both P–O bond lengths are 1.50 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two K atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to one K and two O atoms. The O–O bond length is 1.34 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one P atom. In the ninth O site, O is bonded in a distorted T-shaped geometry to two K and one O atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to two K and one P atom.},
doi = {10.17188/1731283},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}