data_9009539
_chemical_name 'Zwieselite'
loop_
_publ_author_name
'Yakubovich O V'
'Simonov M A'
'Matvienko E N'
'Belov N V'
_journal_name_full "Doklady Akademii Nauk SSSR"
_journal_volume 238
_journal_year 1978
_journal_page_first 576
_journal_page_last 579
_publ_section_title
;
 The crystal structure of the synthetic finite Fe-term of the series triplite -
 zwieselite Fe2(PO4)F
;
_chemical_formula_sum 'Fe2 P O4 F'
_cell_length_a 11.999
_cell_length_b 9.890
_cell_length_c 6.489
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 107.72
_cell_volume 733.516
_symmetry_space_group_name_H-M 'I 1 1 2/a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2+x,y,-z'
  '+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.19092   0.19415   0.97691
Fe2   0.09267   0.44905   0.14738
P   0.07663   0.38279   0.65836
O1   0.05630   0.47630   0.83470
O2   0.96140   0.26690   0.60790
O3   0.17090   0.31370   0.71610
O4   0.11900   0.48080   0.46880
F   0.26640   0.37270   0.14440