U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2Sn3O8 by Materials Project
Abstract
Zn2Sn3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.24 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.12 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded to two equivalent Zn2+ and two Sn4+ atoms to form a mixture of distorted corner and edge-sharing OZn2Sn2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mvc-14010
- 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; O-Sn-Zn; Zn2Sn3O8; crystal structure
- OSTI Identifier:
- 1319020
- DOI:
- https://doi.org/10.17188/1319020
Citation Formats
Materials Data on Zn2Sn3O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319020.
Materials Data on Zn2Sn3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1319020
2020.
"Materials Data on Zn2Sn3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1319020. https://www.osti.gov/servlets/purl/1319020. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1319020,
title = {Materials Data on Zn2Sn3O8 by Materials Project},
abstractNote = {Zn2Sn3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.24 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.12 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded to two equivalent Zn2+ and two Sn4+ atoms to form a mixture of distorted corner and edge-sharing OZn2Sn2 trigonal pyramids.},
doi = {10.17188/1319020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}