Tl2Os(ClF2)2
Alexandria ALEXAlex-ID: agm004565751 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_166_spg139
Tl2Os(Cl2F)2 TlOsF6 TlCl Os
2022-06-19 13:28:17.256275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565751).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004565751
data_agm004565751
_cell_length_a 6.49927
_cell_length_b 6.49927
_cell_length_c 6.49927
_cell_angle_alpha 93.36287
_cell_angle_beta 118.07781
_cell_angle_gamma 118.07781
_cell_volume 199.39225
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1 Tl 0.50000 0.75000 0.25000 1.00000
Tl2 Tl 0.50000 0.25000 0.75000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.00000 0.73718 0.73718 1.00000
Cl2 Cl 1.00000 0.26282 0.26282 1.00000
F1 F 0.00000 0.79163 0.20837 1.00000
F2 F 0.58326 0.79163 0.79163 1.00000
F3 F 0.00000 0.20837 0.79163 1.00000
F4 F 0.41674 0.20837 0.20837 1.00000
Get direct link