LiO2F3
Alexandria ALEXAlex-ID: agm005694841 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2583_spg74
OF LiF
2023-08-22 12:34:32.068490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694841).
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 agm005694841
data_agm005694841
_cell_length_a 5.23726
_cell_length_b 3.28136
_cell_length_c 8.90513
_cell_angle_alpha 99.18936
_cell_angle_beta 107.10115
_cell_angle_gamma 90.00002
_cell_volume 144.21549
_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
Li1 Li 0.26728 0.25000 0.00000 1.00000
Li2 Li 0.73272 0.75000 1.00000 1.00000
O1 O 0.26348 0.53520 0.57922 1.00000
O2 O 0.31574 0.03520 0.57922 1.00000
O3 O 0.68426 0.96480 0.42078 1.00000
O4 O 0.73652 0.46480 0.42078 1.00000
F1 F 0.32363 0.75000 1.00000 1.00000
F2 F 0.67637 0.25000 0.00000 1.00000
F3 F 0.92956 0.14393 0.77094 1.00000
F4 F 0.15862 0.35607 0.22906 1.00000
F5 F 0.84138 0.64393 0.77094 1.00000
F6 F 0.07044 0.85607 0.22906 1.00000
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