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Title: Materials Data on Cd5P3O13 by Materials Project

Abstract

Cd5P3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.35 Å) and three longer (2.43 Å) Cd–O bond lengths. In the second Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.37 Å) and three longer (2.45 Å) Cd–O bond lengths. In the third Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.49 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Cd and one P atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Cd atoms. In the third O site, O is bonded in a 1-coordinate geometry to two Cd and one P atom. In the fourth O site, O is bondedmore » in a 1-coordinate geometry to two equivalent Cd and one P atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent Cd and one P atom.« less

Publication Date:
Other Number(s):
mp-1226956
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; Cd5P3O13; Cd-O-P
OSTI Identifier:
1728847
DOI:
https://doi.org/10.17188/1728847

Citation Formats

The Materials Project. Materials Data on Cd5P3O13 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1728847.
The Materials Project. Materials Data on Cd5P3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1728847
The Materials Project. 2019. "Materials Data on Cd5P3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1728847. https://www.osti.gov/servlets/purl/1728847. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1728847,
title = {Materials Data on Cd5P3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd5P3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.35 Å) and three longer (2.43 Å) Cd–O bond lengths. In the second Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are three shorter (2.37 Å) and three longer (2.45 Å) Cd–O bond lengths. In the third Cd site, Cd is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.49 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Cd and one P atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Cd atoms. In the third O site, O is bonded in a 1-coordinate geometry to two Cd and one P atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two equivalent Cd and one P atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent Cd and one P atom.},
doi = {10.17188/1728847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}