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Title: Materials Data on KPr3Te8 by Materials Project

Abstract

KPr3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.63–3.85 Å. There are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.24–3.35 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.25–3.37 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.26–3.45 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Pr3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.29 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Pr3+, and two equivalent Te+1.25- atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry tomore » five Pr3+ atoms. In the fourth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.44 Å) Te–Te bond lengths. In the sixth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Pr3+, and four Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.43 Å) Te–Te bond lengths. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms.« less

Publication Date:
Other Number(s):
mp-567710
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; KPr3Te8; K-Pr-Te
OSTI Identifier:
1274003
DOI:
10.17188/1274003

Citation Formats

The Materials Project. Materials Data on KPr3Te8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274003.
The Materials Project. Materials Data on KPr3Te8 by Materials Project. United States. doi:10.17188/1274003.
The Materials Project. 2020. "Materials Data on KPr3Te8 by Materials Project". United States. doi:10.17188/1274003. https://www.osti.gov/servlets/purl/1274003. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274003,
title = {Materials Data on KPr3Te8 by Materials Project},
author = {The Materials Project},
abstractNote = {KPr3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.63–3.85 Å. There are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.24–3.35 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.25–3.37 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Pr–Te bond distances ranging from 3.26–3.45 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Pr3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.29 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Pr3+, and two equivalent Te+1.25- atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the fourth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.44 Å) Te–Te bond lengths. In the sixth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Pr3+ atoms. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Pr3+, and four Te+1.25- atoms. There are one shorter (2.90 Å) and one longer (3.43 Å) Te–Te bond lengths. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Pr3+, and three Te+1.25- atoms.},
doi = {10.17188/1274003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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