U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(Cu2P)2 by Materials Project
Abstract
Ce(Cu2P)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eleven Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.07–3.38 Å. There are a spread of Ce–P bond distances ranging from 2.88–3.04 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.09–3.27 Å. There are four shorter (2.93 Å) and two longer (2.96 Å) Ce–P bond lengths. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to one Ce, nine Cu, and two equivalent P atoms. There are a spread of Cu–Cu bond distances ranging from 2.39–2.72 Å. Both Cu–P bond lengths are 2.45 Å. In the second Cu site, Cu is bonded in a distorted water-like geometry to two equivalent Ce, four equivalent Cu, and two P atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Cu–P bond lengths. In the third Cu site, Cu is bonded tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1214035
- 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; Ce(Cu2P)2; Ce-Cu-P
- OSTI Identifier:
- 1730571
- DOI:
- https://doi.org/10.17188/1730571
Citation Formats
The Materials Project. Materials Data on Ce(Cu2P)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1730571.
The Materials Project. Materials Data on Ce(Cu2P)2 by Materials Project. United States. doi:https://doi.org/10.17188/1730571
The Materials Project. 2019.
"Materials Data on Ce(Cu2P)2 by Materials Project". United States. doi:https://doi.org/10.17188/1730571. https://www.osti.gov/servlets/purl/1730571. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1730571,
title = {Materials Data on Ce(Cu2P)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(Cu2P)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eleven Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.07–3.38 Å. There are a spread of Ce–P bond distances ranging from 2.88–3.04 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.09–3.27 Å. There are four shorter (2.93 Å) and two longer (2.96 Å) Ce–P bond lengths. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to one Ce, nine Cu, and two equivalent P atoms. There are a spread of Cu–Cu bond distances ranging from 2.39–2.72 Å. Both Cu–P bond lengths are 2.45 Å. In the second Cu site, Cu is bonded in a distorted water-like geometry to two equivalent Ce, four equivalent Cu, and two P atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Cu–P bond lengths. In the third Cu site, Cu is bonded to five Ce, two equivalent Cu, and four P atoms to form a mixture of distorted edge, face, and corner-sharing CuCe5Cu2P4 tetrahedra. Both Cu–Cu bond lengths are 2.79 Å. There are a spread of Cu–P bond distances ranging from 2.39–2.45 Å. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three Ce, one Cu, and three P atoms. There are two shorter (2.40 Å) and one longer (2.52 Å) Cu–P bond lengths. In the fifth Cu site, Cu is bonded in a 3-coordinate geometry to two Ce, four Cu, and three P atoms. Both Cu–Cu bond lengths are 2.76 Å. There are one shorter (2.33 Å) and two longer (2.41 Å) Cu–P bond lengths. In the sixth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Ce, five Cu, and four P atoms. There are a spread of Cu–P bond distances ranging from 2.32–2.58 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Cu atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Ce and six Cu atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Ce and five Cu atoms.},
doi = {10.17188/1730571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}