# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'GaCl2'
_chemical_formula_sum 'Cl2 Ga'

loop_
_publ_author_name
 'A. P. Wilkinson'
 'A. K. Cheetham'
 'D. E. Cox'
_journal_name_full_name
;
 Acta Crystallographica Section B: Structural Science
;
_journal_volume 47
_journal_year 1991
_journal_page_first 155
_journal_page_last 161
_publ_Section_title
;
 Study of oxidation-state contrast in gallium dichloride by synchrotron X-ray anomalous scattering
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'GaCl$_{2}$ (High-temperature) Structure'
_aflow_proto 'A2B_oP24_52_2e_cd'
_aflow_params 'a,b/a,c/a,z_{1},x_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '7.2235008877,1.34576036547,1.32098013428,0.3175,0.6759,0.8271,0.1762,0.5576,0.5093,0.0419,0.8142'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP24'

_cell_length_a    7.2235008877
_cell_length_b    9.7211011946
_cell_length_c    9.5421011726
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/n 21/n 2/a"
_symmetry_Int_Tables_number 52
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x+1/2,-y,z
5 -x,-y,-z
6 -x,y+1/2,z+1/2
7 x+1/2,-y+1/2,z+1/2
8 x+1/2,y,-z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga1 Ga   4 c 0.25000 0.00000 0.31750 1.00000
Ga2 Ga   4 d 0.67590 0.25000 0.25000 1.00000
Cl1 Cl   8 e 0.82710 0.17620 0.55760 1.00000
Cl2 Cl   8 e 0.50930 0.04190 0.81420 1.00000
