RbNi(IO3)4
Alexandria ALEXAlex-ID: agm018339934 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_50_spg2
Rb2I4O11 Ni(IO3)2 RbO12 I2O5
2024-12-05 16:44:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018339934).
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 agm018339934
data_agm018339934
_cell_length_a 7.67236
_cell_length_b 7.81712
_cell_length_c 10.85614
_cell_angle_alpha 105.76978
_cell_angle_beta 99.95909
_cell_angle_gamma 88.85876
_cell_volume 616.90434
_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
Rb1 Rb 0.18680 0.04415 0.86454 1.00000
Rb2 Rb 0.81320 0.95585 0.13546 1.00000
Ni1 Ni 0.01457 0.54701 0.78973 1.00000
Ni2 Ni 0.98543 0.45299 0.21027 1.00000
I1 I 0.27471 0.26567 0.58181 1.00000
I2 I 0.72529 0.73433 0.41819 1.00000
I3 I 0.32266 0.63809 0.08638 1.00000
I4 I 0.67734 0.36191 0.91362 1.00000
I5 I 0.78069 0.25849 0.52739 1.00000
I6 I 0.21931 0.74151 0.47261 1.00000
I7 I 0.65193 0.76816 0.75539 1.00000
I8 I 0.34807 0.23184 0.24461 1.00000
O1 O 0.19576 0.36569 0.73715 1.00000
O2 O 0.80424 0.63431 0.26285 1.00000
O3 O 0.51121 0.34315 0.63811 1.00000
O4 O 0.48879 0.65685 0.36189 1.00000
O5 O 0.29986 0.04591 0.60839 1.00000
O6 O 0.70014 0.95409 0.39161 1.00000
O7 O 0.12825 0.64507 0.16697 1.00000
O8 O 0.87175 0.35493 0.83303 1.00000
O9 O 0.36311 0.39934 0.04368 1.00000
O10 O 0.63689 0.60066 0.95632 1.00000
O11 O 0.20826 0.67816 0.93482 1.00000
O12 O 0.79174 0.32184 0.06518 1.00000
O13 O 0.84947 0.49512 0.61320 1.00000
O14 O 0.15053 0.50488 0.38680 1.00000
O15 O 0.99978 0.19235 0.47218 1.00000
O16 O 0.00022 0.80765 0.52782 1.00000
O17 O 0.67532 0.30460 0.37747 1.00000
O18 O 0.32468 0.69540 0.62253 1.00000
O19 O 0.88734 0.77990 0.83481 1.00000
O20 O 0.11266 0.22010 0.16519 1.00000
O21 O 0.67897 0.87337 0.62223 1.00000
O22 O 0.32103 0.12663 0.37777 1.00000
O23 O 0.58326 0.96755 0.86314 1.00000
O24 O 0.41674 0.03245 0.13686 1.00000
