Rb2UCl5O
Alexandria ALEXAlex-ID: agm005167622 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_207_spg107
Rb2UCl6 RbUCl6 Rb7U3(Cl2O)6
2023-01-17 17:24:24.713428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005167622).
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 agm005167622
data_agm005167622
_cell_length_a 7.35567
_cell_length_b 7.35567
_cell_length_c 7.35567
_cell_angle_alpha 93.63707
_cell_angle_beta 117.92283
_cell_angle_gamma 117.92283
_cell_volume 289.62162
_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 0.24390 0.74390 1.00000
Rb2 Rb 0.50000 0.74390 0.24390 1.00000
U1 U 0.00000 0.98538 0.98538 1.00000
Cl1 Cl 0.49266 0.24192 0.24192 1.00000
Cl2 Cl 0.50734 0.74926 0.74926 1.00000
Cl3 Cl 0.00000 0.74926 0.24192 1.00000
Cl4 Cl 0.00000 0.24192 0.74926 1.00000
Cl5 Cl 1.00000 0.24178 0.24178 1.00000
O1 O 1.00000 0.80273 0.80273 1.00000
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