data_global
_amcsd_formula_title 'Bi0.5 O7 P2 Ta0.5'
loop_
_publ_author_name
'Oyetola S'
'Verbaere A'
'Guyomard D'
'Crosnier M'
'Piffard Y'
'Tournoux M'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 28 
_journal_year 1991
_journal_page_first 23
_journal_page_last 36
_publ_section_title
;
 New ZrP2O7-like diphosphates of either mixed
 (M^III^1/2M'^V^1/2) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^
 cations (M'=Ta,Nb):synthesis and structure
 _cod_database_code 1000327
;
_database_code_amcsd 0012540
_chemical_formula_sum '(Bi.5 Ta.5) P2 O7'
_cell_length_a 8.253
_cell_length_b 8.253
_cell_length_c 8.253
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 562.128
_exptl_crystal_density_diffrn      4.359
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-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
Bi1   0.00000   0.00000   0.00000   0.50000
Ta1   0.00000   0.00000   0.00000   0.50000
P1   0.39700   0.39700   0.39700   1.00000
O1   0.23100   0.43100   0.44800   1.00000
O2   0.50000   0.50000   0.50000   1.00000