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Title: Materials Data on Ni16GeP5 by Materials Project

Abstract

Ni16GeP5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and two P atoms. The Ni–Ge bond length is 2.43 Å. Both Ni–P bond lengths are 2.21 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.18–2.56 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.71 Å. There are a spread of Ni–P bond distances ranging from 2.30–2.56 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.52 Å. There are two shorter (2.22 Å) and one longer (2.54 Å) Ni–P bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.51 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to one Gemore » and two P atoms. The Ni–Ge bond length is 2.40 Å. There are one shorter (2.20 Å) and one longer (2.27 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.55 Å. In the eighth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.47 Å. There are a spread of Ni–P bond distances ranging from 2.25–2.60 Å. Ge is bonded in a cuboctahedral geometry to twelve Ni atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the second P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the third P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1210211
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; Ni16GeP5; Ge-Ni-P
OSTI Identifier:
1741823
DOI:
https://doi.org/10.17188/1741823

Citation Formats

The Materials Project. Materials Data on Ni16GeP5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741823.
The Materials Project. Materials Data on Ni16GeP5 by Materials Project. United States. doi:https://doi.org/10.17188/1741823
The Materials Project. 2020. "Materials Data on Ni16GeP5 by Materials Project". United States. doi:https://doi.org/10.17188/1741823. https://www.osti.gov/servlets/purl/1741823. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1741823,
title = {Materials Data on Ni16GeP5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni16GeP5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and two P atoms. The Ni–Ge bond length is 2.43 Å. Both Ni–P bond lengths are 2.21 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.18–2.56 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.71 Å. There are a spread of Ni–P bond distances ranging from 2.30–2.56 Å. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.52 Å. There are two shorter (2.22 Å) and one longer (2.54 Å) Ni–P bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.51 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to one Ge and two P atoms. The Ni–Ge bond length is 2.40 Å. There are one shorter (2.20 Å) and one longer (2.27 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.55 Å. In the eighth Ni site, Ni is bonded in a 2-coordinate geometry to one Ge and three P atoms. The Ni–Ge bond length is 2.47 Å. There are a spread of Ni–P bond distances ranging from 2.25–2.60 Å. Ge is bonded in a cuboctahedral geometry to twelve Ni atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the second P site, P is bonded in a 10-coordinate geometry to ten Ni atoms. In the third P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.},
doi = {10.17188/1741823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}