data_9004096
_chemical_name 'Anhydrite'
loop_
_publ_author_name
'Hawthorne F C'
'Ferguson R B'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 13
_journal_year 1975
_journal_page_first 289
_journal_page_last 292
_publ_section_title
;
 Anhydrous sulphates. II. Refinement of the crystal structure of anhydrite
;
_chemical_formula_sum 'Ca S O4'
_cell_length_a 6.993
_cell_length_b 6.995
_cell_length_c 6.245
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 305.481
_symmetry_space_group_name_H-M 'A m m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.75000   0.00000   0.34760
S   0.25000   0.00000   0.15556
O1   0.25000   0.16990   0.01620
O2   0.08190   0.00000   0.29750