U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Mo(CO4)2 by Materials Project
Abstract
K2Mo(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.37 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.25 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the second O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199178
- 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; K2Mo(CO4)2; C-K-Mo-O
- OSTI Identifier:
- 1666625
- DOI:
- https://doi.org/10.17188/1666625
Citation Formats
The Materials Project. Materials Data on K2Mo(CO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666625.
The Materials Project. Materials Data on K2Mo(CO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666625
The Materials Project. 2020.
"Materials Data on K2Mo(CO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666625. https://www.osti.gov/servlets/purl/1666625. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1666625,
title = {Materials Data on K2Mo(CO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Mo(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.37 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.25 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one O2- atom. The O–O bond length is 1.24 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Mo6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Mo6+, and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Mo6+, and one C4+ atom.},
doi = {10.17188/1666625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}