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Title: Materials Data on Co7NiP4 by Materials Project

Abstract

Co7NiP4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seven inequivalent Co+1.43+ sites. In the first Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.13–2.21 Å. In the second Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. In the third Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with six CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with two CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.23 Å. In the fourth Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that sharemore » corners with eight CoP4 tetrahedra, corners with six CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with two CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. In the fifth Co+1.43+ site, Co+1.43+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.25–2.52 Å. In the sixth Co+1.43+ site, Co+1.43+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with six CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.27–2.53 Å. In the seventh Co+1.43+ site, Co+1.43+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with six CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.25–2.53 Å. Ni2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.58 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.43+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to eight Co+1.43+ and one Ni2+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to seven Co+1.43+ and two equivalent Ni2+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to seven Co+1.43+ and two equivalent Ni2+ atoms.« less

Publication Date:
Other Number(s):
mp-1226111
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; Co7NiP4; Co-Ni-P
OSTI Identifier:
1677078
DOI:
https://doi.org/10.17188/1677078

Citation Formats

The Materials Project. Materials Data on Co7NiP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677078.
The Materials Project. Materials Data on Co7NiP4 by Materials Project. United States. doi:https://doi.org/10.17188/1677078
The Materials Project. 2020. "Materials Data on Co7NiP4 by Materials Project". United States. doi:https://doi.org/10.17188/1677078. https://www.osti.gov/servlets/purl/1677078. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677078,
title = {Materials Data on Co7NiP4 by Materials Project},
author = {The Materials Project},
abstractNote = {Co7NiP4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seven inequivalent Co+1.43+ sites. In the first Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.13–2.21 Å. In the second Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. In the third Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with six CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with two CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.23 Å. In the fourth Co+1.43+ site, Co+1.43+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with eight CoP4 tetrahedra, corners with six CoP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with two CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. In the fifth Co+1.43+ site, Co+1.43+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.25–2.52 Å. In the sixth Co+1.43+ site, Co+1.43+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with six CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.27–2.53 Å. In the seventh Co+1.43+ site, Co+1.43+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with six CoP4 tetrahedra, and edges with four CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.25–2.53 Å. Ni2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.58 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.43+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to eight Co+1.43+ and one Ni2+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to seven Co+1.43+ and two equivalent Ni2+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to seven Co+1.43+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1677078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}