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Title: Materials Data on Zn(PO5)2 by Materials Project

Abstract

Zn(PO3)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one Zn(PO3)2 sheet oriented in the (1, 0, 0) direction. In the Zn(PO3)2 sheet, Zn is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.03 Å) Zn–O bond lengths. P is bonded in a trigonal planar geometry to three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom.

Authors:
Publication Date:
Other Number(s):
mp-1207562
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; Zn(PO5)2; O-P-Zn
OSTI Identifier:
1679368
DOI:
https://doi.org/10.17188/1679368

Citation Formats

The Materials Project. Materials Data on Zn(PO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679368.
The Materials Project. Materials Data on Zn(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679368
The Materials Project. 2020. "Materials Data on Zn(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679368. https://www.osti.gov/servlets/purl/1679368. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679368,
title = {Materials Data on Zn(PO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(PO3)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one Zn(PO3)2 sheet oriented in the (1, 0, 0) direction. In the Zn(PO3)2 sheet, Zn is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.03 Å) Zn–O bond lengths. P is bonded in a trigonal planar geometry to three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom.},
doi = {10.17188/1679368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}