DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2BiAsCO7 by Materials Project

Abstract

Na2CBiAsO7 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 2.33–2.74 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.33 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded to two equivalent Na1+, one C4+, and one Bi3+ atom to form distorted corner-sharing ONa2BiC trigonal pyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one C4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Bi3+, and one As5+more » atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Bi3+, and one As5+ atom. In the sixth O2- site, O2- is bonded to two equivalent Na1+, one Bi3+, and one As5+ atom to form distorted corner-sharing ONa2BiAs tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1176418
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; Na2BiAsCO7; As-Bi-C-Na-O
OSTI Identifier:
1672562
DOI:
https://doi.org/10.17188/1672562

Citation Formats

The Materials Project. Materials Data on Na2BiAsCO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672562.
The Materials Project. Materials Data on Na2BiAsCO7 by Materials Project. United States. doi:https://doi.org/10.17188/1672562
The Materials Project. 2020. "Materials Data on Na2BiAsCO7 by Materials Project". United States. doi:https://doi.org/10.17188/1672562. https://www.osti.gov/servlets/purl/1672562. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1672562,
title = {Materials Data on Na2BiAsCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CBiAsO7 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 2.33–2.74 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.33 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.63 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one C4+ atom. In the second O2- site, O2- is bonded to two equivalent Na1+, one C4+, and one Bi3+ atom to form distorted corner-sharing ONa2BiC trigonal pyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one C4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Bi3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Bi3+, and one As5+ atom. In the sixth O2- site, O2- is bonded to two equivalent Na1+, one Bi3+, and one As5+ atom to form distorted corner-sharing ONa2BiAs tetrahedra.},
doi = {10.17188/1672562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}