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Title: Materials Data on KPr(ClO)4 by Materials Project

Abstract

KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) K–O bond lengths. There are two shorter (3.10 Å) and two longer (3.59 Å) K–Cl bond lengths. Pr is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Pr–O bond lengths are 2.42 Å. There are two shorter (2.72 Å) and two longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Pr, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Pr and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent K and one Prmore » atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1211634
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; KPr(ClO)4; Cl-K-O-Pr
OSTI Identifier:
1719784
DOI:
https://doi.org/10.17188/1719784

Citation Formats

The Materials Project. Materials Data on KPr(ClO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719784.
The Materials Project. Materials Data on KPr(ClO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1719784
The Materials Project. 2020. "Materials Data on KPr(ClO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1719784. https://www.osti.gov/servlets/purl/1719784. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1719784,
title = {Materials Data on KPr(ClO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.13 Å) and two longer (3.19 Å) K–O bond lengths. There are two shorter (3.10 Å) and two longer (3.59 Å) K–Cl bond lengths. Pr is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both Pr–O bond lengths are 2.42 Å. There are two shorter (2.72 Å) and two longer (2.98 Å) Pr–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Pr, and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one Pr and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent K and one Pr atom.},
doi = {10.17188/1719784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}