Rb2SbCl3F2
Alexandria ALEXAlex-ID: agm003232170 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3_20_spg2
Rb2SbCl3F2
2021-12-20 12:44:14.642478
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232170).
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 agm003232170
data_agm003232170
_cell_length_a 13.37658
_cell_length_b 7.65069
_cell_length_c 7.63943
_cell_angle_alpha 119.27515
_cell_angle_beta 101.04769
_cell_angle_gamma 84.53603
_cell_volume 669.32779
_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
Cl1 Cl 0.49843 0.68044 0.81582 1.00000
Cl2 Cl 0.50157 0.31956 0.18418 1.00000
Cl3 Cl 0.50000 0.00000 0.50000 1.00000
Cl4 Cl 0.88419 0.67674 0.86062 1.00000
Cl5 Cl 0.11581 0.32326 0.13938 1.00000
Cl6 Cl 0.11749 0.89861 0.26184 1.00000
Cl7 Cl 0.88251 0.10139 0.73816 1.00000
Cl8 Cl 0.88390 0.21971 0.28412 1.00000
Cl9 Cl 0.11610 0.78029 0.71588 1.00000
F1 F 0.30333 0.33923 0.56468 1.00000
F2 F 0.69667 0.66077 0.43532 1.00000
F3 F 0.69563 0.87160 0.22898 1.00000
F4 F 0.30437 0.12840 0.77102 1.00000
F5 F 0.30906 0.54640 0.98544 1.00000
F6 F 0.69094 0.45360 0.01456 1.00000
Rb1 Rb 0.31648 0.00094 0.10153 1.00000
Rb2 Rb 0.68352 0.99906 0.89847 1.00000
Rb3 Rb 0.08938 0.33148 0.69337 1.00000
Rb4 Rb 0.91062 0.66852 0.30663 1.00000
Rb5 Rb 0.69445 0.33766 0.56445 1.00000
Rb6 Rb 0.30555 0.66234 0.43555 1.00000
Sb1 Sb 0.39712 0.33458 0.80003 1.00000
Sb2 Sb 0.60288 0.66542 0.19997 1.00000
Sb3 Sb 0.00000 0.00000 0.00000 1.00000
