U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnP2 by Materials Project
Abstract
ZnP2 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.42 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.23 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-11025
- 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; P-Zn; ZnP2; crystal structure
- OSTI Identifier:
- 1187531
- DOI:
- https://doi.org/10.17188/1187531
Citation Formats
Materials Data on ZnP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187531.
Materials Data on ZnP2 by Materials Project. United States. doi:https://doi.org/10.17188/1187531
2020.
"Materials Data on ZnP2 by Materials Project". United States. doi:https://doi.org/10.17188/1187531. https://www.osti.gov/servlets/purl/1187531. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1187531,
title = {Materials Data on ZnP2 by Materials Project},
abstractNote = {ZnP2 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.38–2.42 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.23 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Zn2+ and two equivalent P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four equivalent ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra.},
doi = {10.17188/1187531},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}