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Title: Materials Data on In2(Ni7P2)3 by Materials Project

Abstract

Ni21In2P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent P atoms to form a mixture of distorted edge and corner-sharing NiInP3 tetrahedra. The Ni–In bond length is 2.58 Å. All Ni–P bond lengths are 2.26 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.

Publication Date:
Other Number(s):
mp-21683
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; In2(Ni7P2)3; In-Ni-P
OSTI Identifier:
1197113
DOI:
https://doi.org/10.17188/1197113

Citation Formats

The Materials Project. Materials Data on In2(Ni7P2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197113.
The Materials Project. Materials Data on In2(Ni7P2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1197113
The Materials Project. 2020. "Materials Data on In2(Ni7P2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1197113. https://www.osti.gov/servlets/purl/1197113. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1197113,
title = {Materials Data on In2(Ni7P2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni21In2P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent P atoms to form a mixture of distorted edge and corner-sharing NiInP3 tetrahedra. The Ni–In bond length is 2.58 Å. All Ni–P bond lengths are 2.26 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.},
doi = {10.17188/1197113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}