Materials Data on Cd(PO5)2 by Materials Project
Abstract
Cd(PO3)2(O2)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional and consists of six hydrogen peroxide molecules and one Cd(PO3)2 framework. In the Cd(PO3)2 framework, Cd is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.21 Å) and two longer (2.23 Å) Cd–O bond lengths. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Cd and one P atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182043
- 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; Cd(PO5)2; Cd-O-P
- OSTI Identifier:
- 1652163
- DOI:
- https://doi.org/10.17188/1652163
Citation Formats
The Materials Project. Materials Data on Cd(PO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652163.
The Materials Project. Materials Data on Cd(PO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652163
The Materials Project. 2020.
"Materials Data on Cd(PO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652163. https://www.osti.gov/servlets/purl/1652163. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1652163,
title = {Materials Data on Cd(PO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(PO3)2(O2)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional and consists of six hydrogen peroxide molecules and one Cd(PO3)2 framework. In the Cd(PO3)2 framework, Cd is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.21 Å) and two longer (2.23 Å) Cd–O bond lengths. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Cd and one P atom.},
doi = {10.17188/1652163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}