Materials Data on MgP by Materials Project

Dataset · Sun May 03 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315904· OSTI ID:1315904

The Materials Project

MgP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Mg–P bond distances ranging from 2.60–2.86 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Mg–P bond distances ranging from 2.58–2.87 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to six Mg2+ and one P2- atom. The P–P bond length is 2.21 Å. In the second P2- site, P2- is bonded to six Mg2+ atoms to form distorted corner-sharing PMg6 pentagonal pyramids.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1315904
• Report Number(s): mp-978292
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
MgP
Mg-P