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Title: Materials Data on Te3Pt2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275781· OSTI ID:1275781

Pt2Te3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two PtTe sheets oriented in the (0, 0, 1) direction and two PtTe2 sheets oriented in the (0, 0, 1) direction. In each PtTe sheet, Pt3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. All Pt–Te bond lengths are 2.64 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Pt3+ atoms. In each PtTe2 sheet, Pt3+ is bonded to six Te2- atoms to form edge-sharing PtTe6 octahedra. There are three shorter (2.71 Å) and three longer (2.73 Å) Pt–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Pt3+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Pt3+ 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:
1275781
Report Number(s):
mp-570562
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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