Materials Data on Mn3P by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1195072· OSTI ID:1195072

The Materials Project

Mn3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.28–2.33 Å. In the second Mn site, Mn is bonded in a distorted water-like geometry to two equivalent P atoms. There are one shorter (2.30 Å) and one longer (2.37 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.41 Å. P is bonded in a 9-coordinate geometry to nine Mn atoms.

• 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: 1195072
• Report Number(s): mp-19884
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Mn3P
Mn-P