data_global
_chemical_name_mineral 'Anhydrite'
loop_
_publ_author_name
'Hartman P'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 1 
_journal_year 1989
_journal_page_first 721
_journal_page_last 722
_publ_section_title
;
 On the unit cell dimensions and bond lengths of anhydrite
 Note: this is a re-indexed structure of Hawthorne and Ferguson (1975)
;
_database_code_amcsd 0020859
_chemical_compound_source 'Leopoldshall, East Germany'
_chemical_formula_sum 'Ca S O4'
_cell_length_a 6.992
_cell_length_b 6.999
_cell_length_c 6.240
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 305.367
_exptl_crystal_density_diffrn      2.961
_symmetry_space_group_name_H-M 'B m m b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca1   0.00000   0.25000   0.34770 ?
S1   0.00000   0.75000   0.15560 ?
O1   0.16980   0.75000   0.01580 ?
O2   0.00000   0.58170   0.29740 ?

