U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSnAsCO7 by Materials Project
Abstract
LiSnCAsO7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.62 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.12 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.24–1.35 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of As–O bond distances ranging from 1.70–1.74 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sn4+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one C4+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-771890
- 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; As-C-Li-O-Sn; LiSnAsCO7; crystal structure
- OSTI Identifier:
- 1300919
- DOI:
- https://doi.org/10.17188/1300919
Citation Formats
Materials Data on LiSnAsCO7 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1300919.
Materials Data on LiSnAsCO7 by Materials Project. United States. doi:https://doi.org/10.17188/1300919
2017.
"Materials Data on LiSnAsCO7 by Materials Project". United States. doi:https://doi.org/10.17188/1300919. https://www.osti.gov/servlets/purl/1300919. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1300919,
title = {Materials Data on LiSnAsCO7 by Materials Project},
abstractNote = {LiSnCAsO7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.62 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.12 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.24–1.35 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of As–O bond distances ranging from 1.70–1.74 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sn4+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sn4+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one As5+ atom.},
doi = {10.17188/1300919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}