data_1526434
_publ_section_title
;
 Structure and thermal expansion of the low-temperature phase of S F6
;
_journal_name_full               'Fizika Nizkikh Temperatur'
_journal_page_first              404
_journal_page_last               414
_journal_volume                  26
_journal_year                    2000
_chemical_formula_sum            'F6 S'
_chemical_name_systematic        'S F6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.586
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   13.8028
_cell_length_b                   8.1392
_cell_length_c                   4.7494
_cell_volume                     531.032
_citation_journal_id_ASTM        FNTAA5
_cod_data_source_file            Isakina_FNTAA5_2000_199.cif
_cod_data_source_block           F6S1
_cod_original_cell_volume        531.0317
_cod_chemical_formula_sum_orig   'F6 S1'
_cod_database_code               1526434
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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
F5 F-1 0.7264 0.8644 0.7616 1 0.0
F3 F-1 0.747 0 0.3693 1 0.0
F1 F-1 0.0686 0 0.2815 1 0.0
S2 S+6 0.6684 0 0.5844 1 0.0
F4 F-1 0.5897 0 0.7995 1 0.0
F2 F-1 0.0641 0.1355 0.8779 1 0.0
F6 F-1 0.6103 0.8644 0.4072 1 0.0
S1 S+6 0 0 0 1 0.0
