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Title: Materials Data on K2Mo2O15 by Materials Project

Abstract

K2Mo2O15 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one K2Mo2O15 sheet oriented in the (0, 1, 0) direction. there are two 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 2.75–3.12 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 2.65–3.23 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.01 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.01 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one K and one Mo atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In themore » third O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one K and one O atom. In the eighth O site, O is bonded in a 1-coordinate geometry to one Mo and one O atom. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the tenth O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.23 Å. In the eleventh O site, O is bonded in a single-bond geometry to one O atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Mo atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one K and one Mo atom. In the fourteenth O site, O is bonded in a 2-coordinate geometry to one K and two Mo atoms. In the fifteenth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1182726
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; K2Mo2O15; K-Mo-O
OSTI Identifier:
1732761
DOI:
https://doi.org/10.17188/1732761

Citation Formats

The Materials Project. Materials Data on K2Mo2O15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732761.
The Materials Project. Materials Data on K2Mo2O15 by Materials Project. United States. doi:https://doi.org/10.17188/1732761
The Materials Project. 2020. "Materials Data on K2Mo2O15 by Materials Project". United States. doi:https://doi.org/10.17188/1732761. https://www.osti.gov/servlets/purl/1732761. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732761,
title = {Materials Data on K2Mo2O15 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Mo2O15 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one K2Mo2O15 sheet oriented in the (0, 1, 0) direction. there are two 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 2.75–3.12 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 2.65–3.23 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.01 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.01 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one K and one Mo atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K and one O atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one K, one Mo, and one O atom. The O–O bond length is 1.48 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a bent 150 degrees geometry to one K and one O atom. In the eighth O site, O is bonded in a 1-coordinate geometry to one Mo and one O atom. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a 3-coordinate geometry to one K, one Mo, and one O atom. In the tenth O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.23 Å. In the eleventh O site, O is bonded in a single-bond geometry to one O atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Mo atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one K and one Mo atom. In the fourteenth O site, O is bonded in a 2-coordinate geometry to one K and two Mo atoms. In the fifteenth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Mo atom.},
doi = {10.17188/1732761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}