U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KIn(TeMo)6 by Materials Project
Abstract
KIn(MoTe)6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine Te atoms. There are a spread of K–Te bond distances ranging from 3.62–3.84 Å. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are two shorter (2.68 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.82–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.68 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.82–2.90 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. All Mo–Mo bond lengths are 2.78 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the fourth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. Both Mo–Mo bond lengths are 2.67 Å. There are a spread ofmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224727
- 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; KIn(TeMo)6; In-K-Mo-Te
- OSTI Identifier:
- 1676137
- DOI:
- https://doi.org/10.17188/1676137
Citation Formats
The Materials Project. Materials Data on KIn(TeMo)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676137.
The Materials Project. Materials Data on KIn(TeMo)6 by Materials Project. United States. doi:https://doi.org/10.17188/1676137
The Materials Project. 2019.
"Materials Data on KIn(TeMo)6 by Materials Project". United States. doi:https://doi.org/10.17188/1676137. https://www.osti.gov/servlets/purl/1676137. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1676137,
title = {Materials Data on KIn(TeMo)6 by Materials Project},
author = {The Materials Project},
abstractNote = {KIn(MoTe)6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine Te atoms. There are a spread of K–Te bond distances ranging from 3.62–3.84 Å. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are two shorter (2.68 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.82–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.68 Å) and four longer (2.78 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.82–2.90 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. All Mo–Mo bond lengths are 2.78 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the fourth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. Both Mo–Mo bond lengths are 2.67 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.89 Å. In the fifth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. The Mo–Mo bond length is 2.68 Å. There are a spread of Mo–Te bond distances ranging from 2.83–2.90 Å. In the sixth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Te bond distances ranging from 2.84–2.90 Å. In is bonded in a 1-coordinate geometry to one Te atom. The In–Te bond length is 3.47 Å. There are six inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the second Te site, Te is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the third Te site, Te is bonded in a 5-coordinate geometry to one K and four Mo atoms. In the fourth Te site, Te is bonded in a 6-coordinate geometry to two equivalent K and four Mo atoms. In the fifth Te site, Te is bonded in a 7-coordinate geometry to two equivalent K, four Mo, and one In atom. In the sixth Te site, Te is bonded in a 6-coordinate geometry to two equivalent K and four Mo atoms.},
doi = {10.17188/1676137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}