data_global
_chemical_name_mineral 'Prosopite'
loop_
_publ_author_name
'Pudovkina Z V'
'Chernitsova N M'
'Pyatenko Y A'
_journal_name_full 'Journal of Structural Chemistry'
_journal_volume 14 
_journal_year 1973
_journal_page_first 345
_journal_page_last 347
_publ_section_title
;
 Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4
;
_database_code_amcsd 0014057
_chemical_formula_sum 'Ca Al2 F4 (O4 H4)'
_cell_length_a 6.76
_cell_length_b 11.12
_cell_length_c 7.32
_cell_angle_alpha 90
_cell_angle_beta 95.0
_cell_angle_gamma 90
_cell_volume 548.159
_exptl_crystal_density_diffrn      2.885
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+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
Ca   0.00000   0.46060   0.25000   0.00849
Al1   0.25000   0.25000   0.00000   0.00722
Al2   0.00000   0.14070   0.25000   0.00697
F1   0.07610   0.38100   0.96250   0.01115
F2   0.18180   0.02440   0.28190   0.01191
O-H1   0.19980   0.26320   0.24390   0.00747
O-H2   0.02310   0.15340   0.99710   0.00811