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Title: Materials Data on Tm2CuO4 by Materials Project

Abstract

Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.58 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (2.04 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom.

Publication Date:
Other Number(s):
mp-676104
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; Tm2CuO4; Cu-O-Tm
OSTI Identifier:
1282937
DOI:
https://doi.org/10.17188/1282937

Citation Formats

The Materials Project. Materials Data on Tm2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282937.
The Materials Project. Materials Data on Tm2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1282937
The Materials Project. 2020. "Materials Data on Tm2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1282937. https://www.osti.gov/servlets/purl/1282937. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1282937,
title = {Materials Data on Tm2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2CuO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.58 Å. Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (2.04 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Tm3+ and one Cu2+ atom.},
doi = {10.17188/1282937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}