data_global
_chemical_name_mineral 'Chlorine'
loop_
_publ_author_name
'Powell B M'
'Heal K M'
'Torrie B H'
_journal_name_full 'Molecular Physics'
_journal_volume 53 
_journal_year 1984
_journal_page_first 929
_journal_page_last 939
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Sample: at T = 22 K
;
_database_code_amcsd 0014658
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cl'
_cell_length_a 6.1453
_cell_length_b 4.3954
_cell_length_c 8.1537
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 220.240
_exptl_crystal_density_diffrn      2.138
_symmetry_space_group_name_H-M 'C m c a'
loop_
_space_group_symop_operation_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_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
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