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Title: Materials Data on Na5SnP3 by Materials Project

Abstract

Na5SnP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.26 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.99–3.39 Å. In the third Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent SnP4 tetrahedra, corners with six NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 3.15–3.28 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share cornersmore » with three equivalent NaP4 tetrahedra, corners with five equivalent SnP4 tetrahedra, corners with five NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.92–3.00 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with six NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.88–2.92 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with five NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Sn–P bond distances ranging from 2.53–2.63 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sn4+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-18317
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; Na5SnP3; Na-P-Sn
OSTI Identifier:
1193054
DOI:
https://doi.org/10.17188/1193054

Citation Formats

The Materials Project. Materials Data on Na5SnP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193054.
The Materials Project. Materials Data on Na5SnP3 by Materials Project. United States. doi:https://doi.org/10.17188/1193054
The Materials Project. 2020. "Materials Data on Na5SnP3 by Materials Project". United States. doi:https://doi.org/10.17188/1193054. https://www.osti.gov/servlets/purl/1193054. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1193054,
title = {Materials Data on Na5SnP3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na5SnP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.26 Å. In the second Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.99–3.39 Å. In the third Na1+ site, Na1+ is bonded to five P3- atoms to form distorted NaP5 trigonal bipyramids that share corners with two equivalent SnP4 tetrahedra, corners with six NaP4 tetrahedra, corners with four NaP5 trigonal bipyramids, edges with two equivalent SnP4 tetrahedra, edges with four NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 3.15–3.28 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent NaP4 tetrahedra, corners with five equivalent SnP4 tetrahedra, corners with five NaP5 trigonal bipyramids, edges with two NaP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.92–3.00 Å. In the fifth Na1+ site, Na1+ is bonded to four P3- atoms to form NaP4 tetrahedra that share corners with three equivalent SnP4 tetrahedra, corners with five NaP4 tetrahedra, corners with six NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Na–P bond distances ranging from 2.88–2.92 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share corners with eight NaP4 tetrahedra, corners with five NaP5 trigonal bipyramids, an edgeedge with one NaP4 tetrahedra, an edgeedge with one SnP4 tetrahedra, and edges with four NaP5 trigonal bipyramids. There are a spread of Sn–P bond distances ranging from 2.53–2.63 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sn4+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Na1+ and one Sn4+ atom.},
doi = {10.17188/1193054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}