data_global
_chemical_name_mineral 'Kusachiite'
loop_
_publ_author_name
'Garcia-Munoz J L'
'Rodriguez-Carvajal J'
'Sapina F'
'Sanchis M J'
'Ibanez R'
'Beltran-Porter D'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 2 
_journal_year 1990
_journal_page_first 2205
_journal_page_last 2214
_publ_section_title
;
 Crystal and magnetic structures of Bi2CuO4
 Sample: T = 290 K
;
_database_code_amcsd 0013258
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi2 Cu O4'
_cell_length_a 8.5039
_cell_length_b 8.5039
_cell_length_c 5.8202
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 420.895
_exptl_crystal_density_diffrn      8.609
_symmetry_space_group_name_H-M 'P 4/n c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi   0.08140  -0.08140   0.75000   0.00932
Cu   0.25000   0.25000   0.07700   0.00855
O   0.54980  -0.14240  -0.09140   0.00925
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.00832 0.00832 0.01133 0.00055 0.00035 0.00035
Cu 0.00692 0.00692 0.01181 0.00000 0.00000 0.00000
O 0.01073 0.00986 0.01447 0.00143 0.00063 0.00098