Tl2Sn(ClF2)2
Alexandria ALEXAlex-ID: agm004565619 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_261_spg12
Tl2SnF6 Tl2SnCl6
2022-06-19 14:06:37.623400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565619).
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
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# CIF generated by HEAS from Alexandria entry agm004565619
data_agm004565619
_cell_length_a 5.43288
_cell_length_b 6.91301
_cell_length_c 6.91301
_cell_angle_alpha 53.44516
_cell_angle_beta 92.94433
_cell_angle_gamma 92.94433
_cell_volume 208.21666
_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 0.14451 0.63776 0.63776 1.00000
Tl2 Tl 0.85549 0.36224 0.36224 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.34626 0.18341 0.18341 1.00000
Cl2 Cl 0.65374 0.81659 0.81659 1.00000
F1 F 0.25942 0.72019 0.19030 1.00000
F2 F 0.74058 0.80970 0.27981 1.00000
F3 F 0.74058 0.27981 0.80970 1.00000
F4 F 0.25942 0.19030 0.72019 1.00000
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