Materials Data on NaP5 by Materials Project
Abstract
NaP5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven P+0.20- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.37 Å. There are four inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. All P–P bond lengths are 2.24 Å. In the second P+0.20- site, P+0.20- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two P+0.20- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form distorted corner-sharing PNaP3 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-31086
- 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; NaP5; Na-P
- OSTI Identifier:
- 1205412
- DOI:
- https://doi.org/10.17188/1205412
Citation Formats
The Materials Project. Materials Data on NaP5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205412.
The Materials Project. Materials Data on NaP5 by Materials Project. United States. doi:https://doi.org/10.17188/1205412
The Materials Project. 2020.
"Materials Data on NaP5 by Materials Project". United States. doi:https://doi.org/10.17188/1205412. https://www.osti.gov/servlets/purl/1205412. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1205412,
title = {Materials Data on NaP5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaP5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven P+0.20- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.37 Å. There are four inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of edge and corner-sharing PNaP3 trigonal pyramids. All P–P bond lengths are 2.24 Å. In the second P+0.20- site, P+0.20- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two P+0.20- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form a mixture of distorted edge and corner-sharing PNaP3 tetrahedra. In the fourth P+0.20- site, P+0.20- is bonded to one Na1+ and three P+0.20- atoms to form distorted corner-sharing PNaP3 tetrahedra.},
doi = {10.17188/1205412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}