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Title: Materials Data on NaPr2Cl6 by Materials Project

Abstract

NaPr2Cl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six Cl atoms. There are four shorter (2.94 Å) and two longer (2.95 Å) Na–Cl bond lengths. Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.94–3.11 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the second Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the third Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra.

Publication Date:
Other Number(s):
mp-677308
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; NaPr2Cl6; Cl-Na-Pr
OSTI Identifier:
1283314
DOI:
https://doi.org/10.17188/1283314

Citation Formats

The Materials Project. Materials Data on NaPr2Cl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283314.
The Materials Project. Materials Data on NaPr2Cl6 by Materials Project. United States. doi:https://doi.org/10.17188/1283314
The Materials Project. 2020. "Materials Data on NaPr2Cl6 by Materials Project". United States. doi:https://doi.org/10.17188/1283314. https://www.osti.gov/servlets/purl/1283314. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283314,
title = {Materials Data on NaPr2Cl6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPr2Cl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six Cl atoms. There are four shorter (2.94 Å) and two longer (2.95 Å) Na–Cl bond lengths. Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.94–3.11 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the second Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the third Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra.},
doi = {10.17188/1283314},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}