U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca6Sn2NO by Materials Project
Abstract
Ca6Sn2NO is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Sn, one N, and one O atom. All Ca–Sn bond lengths are 3.45 Å. The Ca–N bond length is 2.42 Å. The Ca–O bond length is 2.46 Å. Sn is bonded to twelve equivalent Ca atoms to form SnCa12 cuboctahedra that share corners with twelve equivalent SnCa12 cuboctahedra, faces with six equivalent SnCa12 cuboctahedra, faces with four equivalent NCa6 octahedra, and faces with four equivalent OCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-989584
- 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; Ca-N-O-Sn; Ca6Sn2NO; crystal structure
- OSTI Identifier:
- 1316882
- DOI:
- https://doi.org/10.17188/1316882
Citation Formats
Materials Data on Ca6Sn2NO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316882.
Materials Data on Ca6Sn2NO by Materials Project. United States. doi:https://doi.org/10.17188/1316882
2020.
"Materials Data on Ca6Sn2NO by Materials Project". United States. doi:https://doi.org/10.17188/1316882. https://www.osti.gov/servlets/purl/1316882. Pub date:Tue Jul 21 20:00:00 EDT 2020
@article{osti_1316882,
title = {Materials Data on Ca6Sn2NO by Materials Project},
abstractNote = {Ca6Sn2NO is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Sn, one N, and one O atom. All Ca–Sn bond lengths are 3.45 Å. The Ca–N bond length is 2.42 Å. The Ca–O bond length is 2.46 Å. Sn is bonded to twelve equivalent Ca atoms to form SnCa12 cuboctahedra that share corners with twelve equivalent SnCa12 cuboctahedra, faces with six equivalent SnCa12 cuboctahedra, faces with four equivalent NCa6 octahedra, and faces with four equivalent OCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}