RbTl(IF4)2
Alexandria ALEXAlex-ID: agm004875630 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_547_spg65
RbIF4 TlIF4
2022-12-23 02:43:38.742631
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875630).
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 agm004875630
data_agm004875630
_cell_length_a 6.25664
_cell_length_b 6.52743
_cell_length_c 9.75059
_cell_angle_alpha 49.76538
_cell_angle_beta 71.28664
_cell_angle_gamma 61.36310
_cell_volume 266.77298
_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
Rb1 Rb 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
I1 I 0.29138 0.40645 0.01079 1.00000
I2 I 0.70862 0.59355 0.98921 1.00000
F1 F 0.73737 0.80100 0.72427 1.00000
F2 F 0.71116 0.32019 0.25749 1.00000
F3 F 0.26263 0.19900 0.27573 1.00000
F4 F 0.28884 0.67981 0.74251 1.00000
F5 F 0.73134 0.84943 0.19193 1.00000
F6 F 0.26866 0.15057 0.80807 1.00000
F7 F 0.22730 0.84943 0.19193 1.00000
F8 F 0.77270 0.15057 0.80807 1.00000
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