data_global
_chemical_name_mineral 'Babefphite'
loop_
_publ_author_name
'Shashkin D N'
'Simonov M A'
'Belov N V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 176 
_journal_year 1967
_journal_page_first 1392
_journal_page_last 1395
_publ_section_title
;
 Crystal structure of babepfite BaBePO4F = Ba(Be,P)2O4F
;
_database_code_amcsd 0012446
_chemical_formula_sum 'Ba (P Be) O4 F'
_cell_length_a 6.93
_cell_length_b 16.740
_cell_length_c 6.93
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 803.937
_exptl_crystal_density_diffrn      4.301
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-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_occupancy
_atom_site_U_iso_or_equiv
Ba   0.00000   0.00000   0.00000   1.00000   0.00887
P   0.00400   0.08300   0.50500   0.50000   0.00887
Be   0.00400   0.08300   0.50500   0.50000   0.00887
O1   0.04600   0.15500   0.63000   0.50000   0.00887
O2   0.00000   0.00000   0.59800   1.00000   0.00887
O3  -0.20400   0.09500   0.37000   0.50000   0.00887
O4   0.16700   0.07800   0.34000   0.50000   0.00887
F   0.16700   0.07800   0.34000   0.50000   0.00887