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Title: Materials Data on Na2SbAsCO7 by Materials Project

Abstract

Na2CSbAsO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.24–1.36 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.10–2.45 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.69–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one C4+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one C4+, and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Sb3+, and one As5+ atom. In themore » fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Sb3+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one As5+ atom.« less

Publication Date:
Other Number(s):
mp-771166
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2SbAsCO7; As-C-Na-O-Sb
OSTI Identifier:
1300334
DOI:
10.17188/1300334

Citation Formats

The Materials Project. Materials Data on Na2SbAsCO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300334.
The Materials Project. Materials Data on Na2SbAsCO7 by Materials Project. United States. doi:10.17188/1300334.
The Materials Project. 2020. "Materials Data on Na2SbAsCO7 by Materials Project". United States. doi:10.17188/1300334. https://www.osti.gov/servlets/purl/1300334. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1300334,
title = {Materials Data on Na2SbAsCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CSbAsO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.24–1.36 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.10–2.45 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.69–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one C4+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one C4+, and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Sb3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Sb3+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one As5+ atom.},
doi = {10.17188/1300334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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