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Title: Materials Data on K4MoO8 by Materials Project

Abstract

K4MoO8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.60–3.04 Å. In the second K site, K is bonded in a 4-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.56–3.31 Å. In the third K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.73–3.28 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.31 Å. Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.10 Å. There are eight inequivalent O sites. In the first O site, O is bonded to three K and one O atom to form distorted corner-sharing OK3O trigonal pyramids. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a distorted single-bondmore » geometry to two K and one Mo atom. In the third O site, O is bonded in a 1-coordinate geometry to three K and one Mo atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K and two O atoms. The O–O bond length is 1.47 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to four K and one Mo atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two K, one Mo, and one O atom. The O–O bond length is 1.54 Å. In the eighth O site, O is bonded to five K, one Mo, and one O atom to form distorted OK5MoO pentagonal bipyramids that share corners with two equivalent OK5MoO pentagonal bipyramids and corners with three equivalent OK3O trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-705676
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; K4MoO8; K-Mo-O
OSTI Identifier:
1286042
DOI:
https://doi.org/10.17188/1286042

Citation Formats

The Materials Project. Materials Data on K4MoO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286042.
The Materials Project. Materials Data on K4MoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1286042
The Materials Project. 2020. "Materials Data on K4MoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1286042. https://www.osti.gov/servlets/purl/1286042. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1286042,
title = {Materials Data on K4MoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {K4MoO8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.60–3.04 Å. In the second K site, K is bonded in a 4-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.56–3.31 Å. In the third K site, K is bonded in a 2-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.73–3.28 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.31 Å. Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.10 Å. There are eight inequivalent O sites. In the first O site, O is bonded to three K and one O atom to form distorted corner-sharing OK3O trigonal pyramids. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a distorted single-bond geometry to two K and one Mo atom. In the third O site, O is bonded in a 1-coordinate geometry to three K and one Mo atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K and two O atoms. The O–O bond length is 1.47 Å. In the fifth O site, O is bonded in a 4-coordinate geometry to three K and one O atom. In the sixth O site, O is bonded in a 4-coordinate geometry to four K and one Mo atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two K, one Mo, and one O atom. The O–O bond length is 1.54 Å. In the eighth O site, O is bonded to five K, one Mo, and one O atom to form distorted OK5MoO pentagonal bipyramids that share corners with two equivalent OK5MoO pentagonal bipyramids and corners with three equivalent OK3O trigonal pyramids.},
doi = {10.17188/1286042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}