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Title: Materials Data on Tl2P4Pd3O14 by Materials Project

Abstract

Pd3Tl2P4O14 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. In the third Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.33 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pd2+, one Tl1+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distortedmore » bent 120 degrees geometry to one Pd2+, one Tl1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, two equivalent Tl1+, and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1194963
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; Tl2P4Pd3O14; O-P-Pd-Tl
OSTI Identifier:
1653021
DOI:
https://doi.org/10.17188/1653021

Citation Formats

The Materials Project. Materials Data on Tl2P4Pd3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653021.
The Materials Project. Materials Data on Tl2P4Pd3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1653021
The Materials Project. 2020. "Materials Data on Tl2P4Pd3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1653021. https://www.osti.gov/servlets/purl/1653021. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1653021,
title = {Materials Data on Tl2P4Pd3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Tl2P4O14 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. In the third Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.97–3.33 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pd2+, one Tl1+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pd2+, one Tl1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, two equivalent Tl1+, and one P5+ atom.},
doi = {10.17188/1653021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}