U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Sr3P4 by Materials Project
Abstract
Na2Sr3P4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P2- atoms to form distorted NaP5 square pyramids that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, and faces with four SrP6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Na–P bond distances ranging from 2.92–3.30 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Na–P bond distances ranging from 2.98–3.12 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, edges with three SrP6 octahedra, a faceface with one SrP6 octahedra, and faces with two equivalent NaP5 square pyramids. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sr–P bond distances ranging from 3.12–3.18 Å. In the second Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with fourmore »
- Publication Date:
- Other Number(s):
- mp-1221315
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Na-P-Sr; Na2Sr3P4; crystal structure
- OSTI Identifier:
- 1681708
- DOI:
- https://doi.org/10.17188/1681708
Citation Formats
Materials Data on Na2Sr3P4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681708.
Materials Data on Na2Sr3P4 by Materials Project. United States. doi:https://doi.org/10.17188/1681708
2020.
"Materials Data on Na2Sr3P4 by Materials Project". United States. doi:https://doi.org/10.17188/1681708. https://www.osti.gov/servlets/purl/1681708. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1681708,
title = {Materials Data on Na2Sr3P4 by Materials Project},
abstractNote = {Na2Sr3P4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five P2- atoms to form distorted NaP5 square pyramids that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, and faces with four SrP6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are a spread of Na–P bond distances ranging from 2.92–3.30 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Na–P bond distances ranging from 2.98–3.12 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, edges with three SrP6 octahedra, a faceface with one SrP6 octahedra, and faces with two equivalent NaP5 square pyramids. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sr–P bond distances ranging from 3.12–3.18 Å. In the second Sr2+ site, Sr2+ is bonded to six P2- atoms to form SrP6 octahedra that share corners with four SrP6 octahedra, corners with two equivalent NaP5 square pyramids, edges with three SrP6 octahedra, a faceface with one SrP6 octahedra, and faces with two equivalent NaP5 square pyramids. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sr–P bond distances ranging from 3.13–3.17 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Sr–P bond distances ranging from 3.00–3.11 Å. There are four inequivalent P2- sites. In the first P2- site, P2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one P2- atom. The P–P bond length is 2.27 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to two Na1+, five Sr2+, and one P2- atom. The P–P bond length is 2.31 Å. In the third P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one P2- atom. The P–P bond length is 2.28 Å. In the fourth P2- site, P2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one P2- atom.},
doi = {10.17188/1681708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}