data_9013120
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Locality: synthetic
 Sample: at T = 22 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Cl2
_chemical_name_common            Chlorine
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.1453
_cell_length_b                   4.3954
_cell_length_c                   8.1537
_cell_volume                     220.240
_diffrn_ambient_temperature      22
_exptl_crystal_density_diffrn    2.138
_cod_database_code               9013120
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,1/2+y,1/2-z
1/2+x,+y,1/2-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cl 0.00990 0.01210 0.01090 0.00000 0.00000 0.00030
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cl 0.00000 0.12370 0.10250 0.01077
