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Title: Materials Data on K2CuTeO7 by Materials Project

Abstract

K2CuTeO7 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.30 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.80–3.30 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There is three shorter (1.85 Å) and one longer (1.86 Å) Cu–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.99 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Cu, and one Te atom. In the second O site, O is bonded in a distorted L-shaped geometry to two K, one Cu, and one Te atom. In the third O site, O is bonded in a 2-coordinate geometry to three K, one Cu, and one Te atom. In the fourth O site, O ismore » bonded in a 4-coordinate geometry to two K, one Cu, and one Te atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to two K and one Te atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two K and one Te atom. In the seventh O site, O is bonded in a 4-coordinate geometry to four K atoms.« less

Publication Date:
Other Number(s):
mp-1191495
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; K2CuTeO7; Cu-K-O-Te
OSTI Identifier:
1710361
DOI:
https://doi.org/10.17188/1710361

Citation Formats

The Materials Project. Materials Data on K2CuTeO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710361.
The Materials Project. Materials Data on K2CuTeO7 by Materials Project. United States. doi:https://doi.org/10.17188/1710361
The Materials Project. 2020. "Materials Data on K2CuTeO7 by Materials Project". United States. doi:https://doi.org/10.17188/1710361. https://www.osti.gov/servlets/purl/1710361. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710361,
title = {Materials Data on K2CuTeO7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2CuTeO7 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.30 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.80–3.30 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There is three shorter (1.85 Å) and one longer (1.86 Å) Cu–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.99 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Cu, and one Te atom. In the second O site, O is bonded in a distorted L-shaped geometry to two K, one Cu, and one Te atom. In the third O site, O is bonded in a 2-coordinate geometry to three K, one Cu, and one Te atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two K, one Cu, and one Te atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to two K and one Te atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two K and one Te atom. In the seventh O site, O is bonded in a 4-coordinate geometry to four K atoms.},
doi = {10.17188/1710361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}