U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2SrV2CoO8 by Materials Project
Abstract
Na2SrV2CoO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–3.03 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.94 Å. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 5–41°. There are a spread of V–O bond distances ranging from 1.71–1.77 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 1–44°. There are a spread of V–O bond distances ranging from 1.71–1.76 Å. There are two inequivalent Co2+ sites. In the firstmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1195067
- 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; Na2SrV2CoO8; Co-Na-O-Sr-V
- OSTI Identifier:
- 1705532
- DOI:
- https://doi.org/10.17188/1705532
Citation Formats
The Materials Project. Materials Data on Na2SrV2CoO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705532.
The Materials Project. Materials Data on Na2SrV2CoO8 by Materials Project. United States. doi:https://doi.org/10.17188/1705532
The Materials Project. 2020.
"Materials Data on Na2SrV2CoO8 by Materials Project". United States. doi:https://doi.org/10.17188/1705532. https://www.osti.gov/servlets/purl/1705532. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705532,
title = {Materials Data on Na2SrV2CoO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2SrV2CoO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–3.03 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.94 Å. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.13 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 5–41°. There are a spread of V–O bond distances ranging from 1.71–1.77 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 1–44°. There are a spread of V–O bond distances ranging from 1.71–1.76 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent VO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.03–2.19 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent VO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.08–2.14 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Sr2+, and one V5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Sr2+, and one V5+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+, one Sr2+, one V5+, and one Co2+ atom.},
doi = {10.17188/1705532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}