Na2ZnF6
Alexandria ALEXAlex-ID: agm005692069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1455_spg12
NaF3 Na3ZnF6 Na2Zn2F7
2023-07-07 03:44:49.126589
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692069).
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 agm005692069
data_agm005692069
_cell_length_a 3.44308
_cell_length_b 4.32276
_cell_length_c 9.05171
_cell_angle_alpha 95.34674
_cell_angle_beta 79.03619
_cell_angle_gamma 66.53112
_cell_volume 119.16838
_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
Na1 Na 0.94276 0.30280 0.81169 1.00000
Na2 Na 0.05724 0.69720 0.18831 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
F1 F 0.39751 0.22991 0.97508 1.00000
F2 F 0.60249 0.77009 0.02492 1.00000
F3 F 0.68235 0.35166 0.28365 1.00000
F4 F 0.12048 0.22091 0.53813 1.00000
F5 F 0.31765 0.64834 0.71635 1.00000
F6 F 0.87952 0.77909 0.46187 1.00000
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