Materials Data on Mg3P2 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1200521· OSTI ID:1200521

The Materials Project

Mg3P2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing MgP4 tetrahedra. There are a spread of Mg–P bond distances ranging from 2.54–2.65 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second P3- site, P3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°.

• 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: 1200521
• Report Number(s): mp-2514
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Mg3P2
Mg-P