Tl(BrF4)2
Alexandria ALEXAlex-ID: agm005995085 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1624_spg2
Tl(BrF4)3 TlF3 Br
2023-10-15 02:14:55.253666
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995085).
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 agm005995085
data_agm005995085
_cell_length_a 4.26869
_cell_length_b 6.72152
_cell_length_c 7.45511
_cell_angle_alpha 115.10295
_cell_angle_beta 90.19880
_cell_angle_gamma 93.69593
_cell_volume 193.18392
_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 0.00002 0.00000 0.99999 1.00000
Br1 Br 0.17229 0.26765 0.61478 1.00000
Br2 Br 0.82770 0.73236 0.38520 1.00000
F1 F 0.33044 0.75274 0.39175 1.00000
F2 F 0.66954 0.24727 0.60824 1.00000
F3 F 0.83122 0.72763 0.12553 1.00000
F4 F 0.16514 0.25153 0.35089 1.00000
F5 F 0.34835 0.79882 0.91052 1.00000
F6 F 0.16878 0.27238 0.87445 1.00000
F7 F 0.83486 0.74846 0.64910 1.00000
F8 F 0.65168 0.20117 0.08945 1.00000
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