U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2La6OsI12 by Materials Project
Abstract
K2La6OsI12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.53–4.25 Å. There are three inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The La–Os bond length is 2.81 Å. There are a spread of La–I bond distances ranging from 3.22–3.49 Å. In the second La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The La–Os bond length is 2.99 Å. There are a spread of La–I bond distances ranging from 3.24–3.59 Å. In the third La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.82 Å. There are a spread of La–I bond distances ranging from 3.23–3.47 Å. Os2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-569161
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-K-La-Os; K2La6OsI12; crystal structure
- OSTI Identifier:
- 1274962
- DOI:
- https://doi.org/10.17188/1274962
Citation Formats
Materials Data on K2La6OsI12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274962.
Materials Data on K2La6OsI12 by Materials Project. United States. doi:https://doi.org/10.17188/1274962
2020.
"Materials Data on K2La6OsI12 by Materials Project". United States. doi:https://doi.org/10.17188/1274962. https://www.osti.gov/servlets/purl/1274962. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274962,
title = {Materials Data on K2La6OsI12 by Materials Project},
abstractNote = {K2La6OsI12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.53–4.25 Å. There are three inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The La–Os bond length is 2.81 Å. There are a spread of La–I bond distances ranging from 3.22–3.49 Å. In the second La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The La–Os bond length is 2.99 Å. There are a spread of La–I bond distances ranging from 3.24–3.59 Å. In the third La2+ site, La2+ is bonded to one Os2- and five I1- atoms to form a mixture of edge and corner-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.82 Å. There are a spread of La–I bond distances ranging from 3.23–3.47 Å. Os2- is bonded to six La2+ atoms to form OsLa6 octahedra that share edges with two equivalent IK2La2 trigonal pyramids. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one K1+ and two La2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to one K1+ and three La2+ atoms. In the third I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and two La2+ atoms. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to one K1+ and three La2+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one K1+ and three La2+ atoms. In the sixth I1- site, I1- is bonded to two equivalent K1+ and two La2+ atoms to form distorted IK2La2 trigonal pyramids that share corners with two equivalent IK2La2 trigonal pyramids and an edgeedge with one OsLa6 octahedra.},
doi = {10.17188/1274962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}