Materials Data on Na3PSO3 by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1266426· OSTI ID:1266426

The Materials Project

Na3PO3S crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Na–S bond lengths. There are a spread of Na–O bond distances ranging from 2.38–2.59 Å. P5+ is bonded in a distorted tetrahedral geometry to one S2- and three equivalent O2- atoms. The P–S bond length is 2.10 Å. All P–O bond lengths are 1.55 Å. S2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one P5+ atom. O2- is bonded to four equivalent Na1+ and one P5+ atom to form a mixture of distorted edge and corner-sharing ONa4P trigonal bipyramids.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1266426
• Report Number(s): mp-542136
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Na3PSO3
Na-O-P-S