Materials Data on La2PI2 by Materials Project

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

DOI:https://doi.org/10.17188/1276374· OSTI ID:1276374

The Materials Project

La2PI2 is MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one La2PI2 sheet oriented in the (0, 0, 1) direction. La+2.50+ is bonded to three equivalent P3- and three equivalent I1- atoms to form a mixture of edge and corner-sharing LaP3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–P bond lengths are 2.98 Å. All La–I bond lengths are 3.29 Å. P3- is bonded to six equivalent La+2.50+ atoms to form edge-sharing PLa6 octahedra. I1- is bonded in a 3-coordinate geometry to three equivalent La+2.50+ 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: 1276374
• Report Number(s): mp-571647
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
La2PI2
I-La-P