DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Eu2Co12P7 by Materials Project

Abstract

Eu2Co12P7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with twelve CoP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. There are four shorter (2.89 Å) and two longer (2.90 Å) Eu–P bond lengths. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with nine CoP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. All Eu–P bond lengths are 2.87 Å. There are twelve inequivalent Co+1.42+ sites. In the first Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.27–2.30 Å. In the second Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids,more » corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.30 Å) Co–P bond lengths. In the third Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.27–2.30 Å. In the fourth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.14–2.28 Å. In the fifth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.14–2.28 Å. In the sixth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.13–2.28 Å. In the seventh Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the eighth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the ninth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the tenth Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.59 Å. In the eleventh Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.22–2.57 Å. In the twelfth Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.58 Å. There are seven inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the fifth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the sixth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the seventh P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.42+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191681
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; Eu2Co12P7; Co-Eu-P
OSTI Identifier:
1740248
DOI:
https://doi.org/10.17188/1740248

Citation Formats

The Materials Project. Materials Data on Eu2Co12P7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740248.
The Materials Project. Materials Data on Eu2Co12P7 by Materials Project. United States. doi:https://doi.org/10.17188/1740248
The Materials Project. 2020. "Materials Data on Eu2Co12P7 by Materials Project". United States. doi:https://doi.org/10.17188/1740248. https://www.osti.gov/servlets/purl/1740248. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1740248,
title = {Materials Data on Eu2Co12P7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Co12P7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with twelve CoP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. There are four shorter (2.89 Å) and two longer (2.90 Å) Eu–P bond lengths. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form distorted EuP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with nine CoP4 tetrahedra, and faces with two equivalent EuP6 pentagonal pyramids. All Eu–P bond lengths are 2.87 Å. There are twelve inequivalent Co+1.42+ sites. In the first Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.27–2.30 Å. In the second Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.30 Å) Co–P bond lengths. In the third Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.27–2.30 Å. In the fourth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.14–2.28 Å. In the fifth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.14–2.28 Å. In the sixth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one EuP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.13–2.28 Å. In the seventh Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the eighth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the ninth Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent EuP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three EuP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.36 Å. In the tenth Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.59 Å. In the eleventh Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.22–2.57 Å. In the twelfth Co+1.42+ site, Co+1.42+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.58 Å. There are seven inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the fifth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the sixth P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Eu2+ and seven Co+1.42+ atoms. In the seventh P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.42+ atoms.},
doi = {10.17188/1740248},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}