skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZnP2 by Materials Project

Abstract

ZnP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.44 Å. In the second Zn2+ site, Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.35–2.41 Å. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are one shorter (2.20 Å) and one longer (2.21 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. The P–P bond length is 2.23 Å. In the third P1- site, P1-more » is bonded to two equivalent Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. The P–P bond length is 2.23 Å. In the fourth P1- site, P1- is bonded to two Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1392
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZnP2; P-Zn
OSTI Identifier:
1189812
DOI:
https://doi.org/10.17188/1189812

Citation Formats

The Materials Project. Materials Data on ZnP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189812.
The Materials Project. Materials Data on ZnP2 by Materials Project. United States. doi:https://doi.org/10.17188/1189812
The Materials Project. 2020. "Materials Data on ZnP2 by Materials Project". United States. doi:https://doi.org/10.17188/1189812. https://www.osti.gov/servlets/purl/1189812. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189812,
title = {Materials Data on ZnP2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.44 Å. In the second Zn2+ site, Zn2+ is bonded to four P1- atoms to form ZnP4 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.35–2.41 Å. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. There are one shorter (2.20 Å) and one longer (2.21 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. The P–P bond length is 2.23 Å. In the third P1- site, P1- is bonded to two equivalent Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra. The P–P bond length is 2.23 Å. In the fourth P1- site, P1- is bonded to two Zn2+ and two P1- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra and corners with eight PZn2P2 tetrahedra.},
doi = {10.17188/1189812},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}