Mn2OF6
Alexandria ALEXAlex-ID: agm097326599 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_115_spg2
Mn(OF2)2 MnF3 Mn(O2F)2
2025-04-07 05:04:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097326599).
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 agm097326599
data_agm097326599
_cell_length_a 3.90214
_cell_length_b 3.90206
_cell_length_c 8.27365
_cell_angle_alpha 91.63066
_cell_angle_beta 91.62334
_cell_angle_gamma 91.37976
_cell_volume 125.83705
_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
Mn1 Mn 0.14592 0.14580 0.15680 1.00000
Mn2 Mn 0.11276 0.11283 0.68100 1.00000
O1 O 0.17920 0.17925 0.39609 1.00000
F1 F 0.13241 0.13223 0.92810 1.00000
F2 F 0.44276 0.44301 0.41936 1.00000
F3 F 0.12994 0.64583 0.15603 1.00000
F4 F 0.09757 0.61355 0.67830 1.00000
F5 F 0.64596 0.12980 0.15608 1.00000
F6 F 0.61348 0.09770 0.67824 1.00000
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