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Title: Materials Data on CuGe2P3 by Materials Project

Abstract

CuGe2P3 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one CuGe2P3 sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a bent 150 degrees geometry to two equivalent P3- atoms. Both Cu–P bond lengths are 2.13 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.40 Å) Ge–P bond lengths. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. All Ge–P bond lengths are 2.40 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to four Ge4+ atoms to form corner-sharing PGe4 tetrahedra. In the second P3- site, P3- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the third P3- site, P3- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form distorted corner-sharing PCu2Ge2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1225735
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CuGe2P3; Cu-Ge-P
OSTI Identifier:
1652377
DOI:
https://doi.org/10.17188/1652377

Citation Formats

The Materials Project. Materials Data on CuGe2P3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652377.
The Materials Project. Materials Data on CuGe2P3 by Materials Project. United States. doi:https://doi.org/10.17188/1652377
The Materials Project. 2020. "Materials Data on CuGe2P3 by Materials Project". United States. doi:https://doi.org/10.17188/1652377. https://www.osti.gov/servlets/purl/1652377. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652377,
title = {Materials Data on CuGe2P3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuGe2P3 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one CuGe2P3 sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a bent 150 degrees geometry to two equivalent P3- atoms. Both Cu–P bond lengths are 2.13 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.40 Å) Ge–P bond lengths. In the second Ge4+ site, Ge4+ is bonded to four P3- atoms to form corner-sharing GeP4 tetrahedra. All Ge–P bond lengths are 2.40 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded to four Ge4+ atoms to form corner-sharing PGe4 tetrahedra. In the second P3- site, P3- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the third P3- site, P3- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form distorted corner-sharing PCu2Ge2 tetrahedra.},
doi = {10.17188/1652377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}