KRe(ClF3)2
Alexandria ALEXAlex-ID: agm004938331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_900_spg12
Re(ClF2)2 Re(ClF3)2 K2ReF8 KCl7
2023-03-25 17:22:23.987533
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004938331).
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 agm004938331
data_agm004938331
_cell_length_a 7.60995
_cell_length_b 5.15291
_cell_length_c 6.36731
_cell_angle_alpha 113.86842
_cell_angle_beta 94.98840
_cell_angle_gamma 90.00000
_cell_volume 227.29523
_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
K1 K 0.50000 0.00000 0.00000 1.00000
Re1 Re 0.00000 0.50000 0.00000 1.00000
Cl1 Cl 0.49605 0.26275 0.52549 1.00000
Cl2 Cl 0.50395 0.73725 0.47451 1.00000
F1 F 0.03166 0.66081 0.32162 1.00000
F2 F 0.18172 0.24558 0.99143 1.00000
F3 F 0.81828 0.25415 0.00857 1.00000
F4 F 0.18172 0.74585 0.99143 1.00000
F5 F 0.81828 0.75442 0.00857 1.00000
F6 F 0.96834 0.33919 0.67838 1.00000
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