DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2MgMo2(H2O5)2 by Materials Project

Abstract

K2Mg(MoO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one K2Mg(MoO4)2 ribbon oriented in the (1, 0, 0) direction. In the K2Mg(MoO4)2 ribbon, K1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.91 Å) and one longer (1.98 Å) K–O bond length. Mg2+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.60 Å) and two longer (2.09 Å) Mg–O bond length. Mo6+ is bonded in a distorted L-shaped geometry to three O2- atoms. There are a spread of Mo–O bond distances ranging from 1.38–2.43 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1181784
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; K2MgMo2(H2O5)2; H-K-Mg-Mo-O
OSTI Identifier:
1751287
DOI:
https://doi.org/10.17188/1751287

Citation Formats

The Materials Project. Materials Data on K2MgMo2(H2O5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1751287.
The Materials Project. Materials Data on K2MgMo2(H2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1751287
The Materials Project. 2019. "Materials Data on K2MgMo2(H2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1751287. https://www.osti.gov/servlets/purl/1751287. Pub date:Fri Apr 19 00:00:00 EDT 2019
@article{osti_1751287,
title = {Materials Data on K2MgMo2(H2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Mg(MoO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one K2Mg(MoO4)2 ribbon oriented in the (1, 0, 0) direction. In the K2Mg(MoO4)2 ribbon, K1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.91 Å) and one longer (1.98 Å) K–O bond length. Mg2+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.60 Å) and two longer (2.09 Å) Mg–O bond length. Mo6+ is bonded in a distorted L-shaped geometry to three O2- atoms. There are a spread of Mo–O bond distances ranging from 1.38–2.43 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom.},
doi = {10.17188/1751287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {4}
}