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Title: Materials Data on K6Te2P6(H4O11)3 by Materials Project

Abstract

K6P6Te2(H4O11)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–2.98 Å. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.78–3.09 Å. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. Te is bonded in an octahedral geometry to six O atoms. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distortedmore » single-bond geometry to one K and one P atom. In the second O site, O is bonded in a 1-coordinate geometry to two K, one H, and one Te atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to two K, one P, and one H atom. In the fifth O site, O is bonded in a single-bond geometry to one K atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one K, one H, and one Te atom.« less

Publication Date:
Other Number(s):
mp-740739
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; K6Te2P6(H4O11)3; H-K-O-P-Te
OSTI Identifier:
1287940
DOI:
10.17188/1287940

Citation Formats

The Materials Project. Materials Data on K6Te2P6(H4O11)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287940.
The Materials Project. Materials Data on K6Te2P6(H4O11)3 by Materials Project. United States. doi:10.17188/1287940.
The Materials Project. 2020. "Materials Data on K6Te2P6(H4O11)3 by Materials Project". United States. doi:10.17188/1287940. https://www.osti.gov/servlets/purl/1287940. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287940,
title = {Materials Data on K6Te2P6(H4O11)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K6P6Te2(H4O11)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–2.98 Å. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.78–3.09 Å. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. Te is bonded in an octahedral geometry to six O atoms. There is three shorter (1.95 Å) and three longer (1.96 Å) Te–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the second O site, O is bonded in a 1-coordinate geometry to two K, one H, and one Te atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. In the fourth O site, O is bonded in a 4-coordinate geometry to two K, one P, and one H atom. In the fifth O site, O is bonded in a single-bond geometry to one K atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one K, one H, and one Te atom.},
doi = {10.17188/1287940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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