U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Ni3P by Materials Project
Abstract
Mg2Ni3P crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, nine equivalent Ni, and three equivalent P atoms. There are one shorter (2.72 Å) and three longer (3.01 Å) Mg–Mg bond lengths. There are three shorter (2.67 Å) and six longer (2.84 Å) Mg–Ni bond lengths. All Mg–P bond lengths are 2.91 Å. Ni is bonded to six equivalent Mg, four equivalent Ni, and two equivalent P atoms to form distorted NiMg6Ni4P2 cuboctahedra that share corners with four equivalent PMg6Ni6 cuboctahedra, corners with fourteen equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent NiMg6Ni4P2 cuboctahedra, faces with six equivalent PMg6Ni6 cuboctahedra, and faces with twelve equivalent NiMg6Ni4P2 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. Both Ni–P bond lengths are 2.31 Å. P is bonded to six equivalent Mg and six equivalent Ni atoms to form distorted PMg6Ni6 cuboctahedra that share corners with six equivalent PMg6Ni6 cuboctahedra, corners with twelve equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent PMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiMg6Ni4P2 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8969
- 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; Mg2Ni3P; Mg-Ni-P
- OSTI Identifier:
- 1312871
- DOI:
- https://doi.org/10.17188/1312871
Citation Formats
The Materials Project. Materials Data on Mg2Ni3P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312871.
The Materials Project. Materials Data on Mg2Ni3P by Materials Project. United States. doi:https://doi.org/10.17188/1312871
The Materials Project. 2020.
"Materials Data on Mg2Ni3P by Materials Project". United States. doi:https://doi.org/10.17188/1312871. https://www.osti.gov/servlets/purl/1312871. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312871,
title = {Materials Data on Mg2Ni3P by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ni3P crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, nine equivalent Ni, and three equivalent P atoms. There are one shorter (2.72 Å) and three longer (3.01 Å) Mg–Mg bond lengths. There are three shorter (2.67 Å) and six longer (2.84 Å) Mg–Ni bond lengths. All Mg–P bond lengths are 2.91 Å. Ni is bonded to six equivalent Mg, four equivalent Ni, and two equivalent P atoms to form distorted NiMg6Ni4P2 cuboctahedra that share corners with four equivalent PMg6Ni6 cuboctahedra, corners with fourteen equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent NiMg6Ni4P2 cuboctahedra, faces with six equivalent PMg6Ni6 cuboctahedra, and faces with twelve equivalent NiMg6Ni4P2 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. Both Ni–P bond lengths are 2.31 Å. P is bonded to six equivalent Mg and six equivalent Ni atoms to form distorted PMg6Ni6 cuboctahedra that share corners with six equivalent PMg6Ni6 cuboctahedra, corners with twelve equivalent NiMg6Ni4P2 cuboctahedra, edges with six equivalent PMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiMg6Ni4P2 cuboctahedra.},
doi = {10.17188/1312871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}