Sn(IO4)2
Alexandria ALEXAlex-ID: agm005994774 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_3_spg164
SnO6 I2O5 SnO2
2023-09-28 15:11:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994774).
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 agm005994774
data_agm005994774
_cell_length_a 6.48646
_cell_length_b 6.04468
_cell_length_c 6.04215
_cell_angle_alpha 120.01654
_cell_angle_beta 90.03464
_cell_angle_gamma 89.99915
_cell_volume 205.13060
_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
Sn1 Sn 0.00000 0.00000 0.99999 1.00000
I1 I 0.27364 0.33339 0.66681 1.00000
I2 I 0.72636 0.66661 0.33317 1.00000
O1 O 0.45159 0.66645 0.33285 1.00000
O2 O 0.54841 0.33355 0.66713 1.00000
O3 O 0.80441 0.84133 0.15889 1.00000
O4 O 0.19612 0.15854 0.31742 1.00000
O5 O 0.19559 0.68239 0.84073 1.00000
O6 O 0.19559 0.15867 0.84109 1.00000
O7 O 0.80388 0.84146 0.68256 1.00000
O8 O 0.80441 0.31761 0.15925 1.00000
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