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Title: Materials Data on CuTe4H12C4N by Materials Project

Abstract

CuTe4N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four tetramethylammonium molecules and one CuTe4 sheet oriented in the (1, 0, 0) direction. In the CuTe4 sheet, Cu1+ is bonded to four Te2- atoms to form edge-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.68 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and one Te2- atom. The Te–Te bond length is 3.43 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cu1+ and one Te2- atom. The Te–Te bond length is 2.83 Å. In the third Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.45 Å) Te–Te bond lengths. In the fourth Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and two equivalent Te2- atoms.

Publication Date:
Other Number(s):
mp-570909
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; CuTe4H12C4N; C-Cu-H-N-Te
OSTI Identifier:
1268387
DOI:
10.17188/1268387

Citation Formats

The Materials Project. Materials Data on CuTe4H12C4N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268387.
The Materials Project. Materials Data on CuTe4H12C4N by Materials Project. United States. doi:10.17188/1268387.
The Materials Project. 2020. "Materials Data on CuTe4H12C4N by Materials Project". United States. doi:10.17188/1268387. https://www.osti.gov/servlets/purl/1268387. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268387,
title = {Materials Data on CuTe4H12C4N by Materials Project},
author = {The Materials Project},
abstractNote = {CuTe4N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four tetramethylammonium molecules and one CuTe4 sheet oriented in the (1, 0, 0) direction. In the CuTe4 sheet, Cu1+ is bonded to four Te2- atoms to form edge-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.68 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and one Te2- atom. The Te–Te bond length is 3.43 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cu1+ and one Te2- atom. The Te–Te bond length is 2.83 Å. In the third Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.45 Å) Te–Te bond lengths. In the fourth Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and two equivalent Te2- atoms.},
doi = {10.17188/1268387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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