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Title: Materials Data on Ti2Te2P by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188960· OSTI ID:1188960

Ti2PTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ti2PTe2 sheets oriented in the (0, 0, 1) direction. Ti+3.50+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form a mixture of corner and edge-sharing TiTe3P3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–P bond lengths are 2.49 Å. All Ti–Te bond lengths are 2.78 Å. P3- is bonded to six equivalent Ti+3.50+ atoms to form edge-sharing PTi6 octahedra. Te2- is bonded in a 3-coordinate geometry to three equivalent Ti+3.50+ 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:
1188960
Report Number(s):
mp-12527
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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