data_1527259
_publ_section_title
;
 The cooperative Jahn-Teller distorted structure of Rb Cu Cl3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              168
_journal_page_last               172
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'Cl3 Cu Rb'
_chemical_name_systematic        'Rb Cu Cl3'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.93
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.932
_cell_length_b                   6.844
_cell_length_c                   12.244
_cell_volume                     999.310
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Crama_JSSCBI_1981_1505.cif
_cod_data_source_block           Cl3Cu1Rb1
_cod_original_cell_volume        999.3098
_cod_chemical_formula_sum_orig   'Cl3 Cu1 Rb1'
_cod_database_code               1527259
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cl6 Cl-1 0.068 -0.241 0.88 1 0.0
Rb1 Rb+1 0.342 -0.029 0.381 1 0.0
Cl1 Cl-1 0.168 -0.019 0.158 1 0.0
Cl4 Cl-1 0.087 0.254 0.896 1 0.0
Cl3 Cl-1 0.093 0.158 0.392 1 0.0
Rb2 Rb+1 0.324 0.007 0.868 1 0.0
Cl2 Cl-1 0.157 -0.06 0.659 1 0.0
Cu3 Cu+2 -0.001 -0.016 0.245 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Cu2 Cu+2 0 -0.051 0.5 1 0.0
Cl5 Cl-1 0.073 -0.302 0.394 1 0.0
