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Title: Materials Data on TlSn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1200757· OSTI ID:1200757

TlSn is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tl is bonded to four equivalent Tl and eight equivalent Sn atoms to form TlTl4Sn8 cuboctahedra that share corners with twelve equivalent TlTl4Sn8 cuboctahedra, edges with eight equivalent TlTl4Sn8 cuboctahedra, edges with sixteen equivalent SnTl8Sn4 cuboctahedra, faces with eight equivalent SnTl8Sn4 cuboctahedra, and faces with ten equivalent TlTl4Sn8 cuboctahedra. All Tl–Tl bond lengths are 3.35 Å. All Tl–Sn bond lengths are 3.55 Å. Sn is bonded to eight equivalent Tl and four equivalent Sn atoms to form SnTl8Sn4 cuboctahedra that share corners with twelve equivalent SnTl8Sn4 cuboctahedra, edges with eight equivalent SnTl8Sn4 cuboctahedra, edges with sixteen equivalent TlTl4Sn8 cuboctahedra, faces with eight equivalent TlTl4Sn8 cuboctahedra, and faces with ten equivalent SnTl8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.35 Å.

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:
1200757
Report Number(s):
mp-2556
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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