Bi4Cl2O5
Alexandria ALEXAlex-ID: agm005667644 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1034_spg12
Bi3ClO4 BiClO
2023-06-22 08:36:24.053616
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667644).
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 agm005667644
data_agm005667644
_cell_length_a 7.31568
_cell_length_b 8.27824
_cell_length_c 7.89954
_cell_angle_alpha 130.73639
_cell_angle_beta 89.99986
_cell_angle_gamma 116.22292
_cell_volume 294.47960
_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
Bi1 Bi 0.52751 0.05502 0.79565 1.00000
Bi2 Bi 0.47249 0.94498 0.20435 1.00000
Bi3 Bi 0.80685 0.61370 0.58805 1.00000
Bi4 Bi 0.19315 0.38630 0.41195 1.00000
Cl1 Cl 0.85804 0.71608 0.98151 1.00000
Cl2 Cl 0.14196 0.28392 0.01849 1.00000
O1 O 0.18950 0.74474 0.64303 1.00000
O2 O 0.81050 0.25526 0.35697 1.00000
O3 O 0.50000 0.00000 0.50000 1.00000
O4 O 0.55524 0.74474 0.64302 1.00000
O5 O 0.44476 0.25526 0.35698 1.00000
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