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 = 1.5 K
;
_database_code_amcsd 0013255
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi2 Cu O4'
_cell_length_a 8.4989
_cell_length_b 8.4989
_cell_length_c 5.7973
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 418.747
_exptl_crystal_density_diffrn      8.653
_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   0.08170  -0.08170   0.75000   0.00284
Cu   0.25000   0.25000   0.07660   0.00386
O   0.55000  -0.14210  -0.09130   0.00419
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 0.00263 0.00263 0.00325 0.00033 0.00040 0.00040
Cu 0.00282 0.00282 0.00594 0.00000 0.00000 0.00000
O 0.00498 0.00494 0.00632 0.00015 -0.00007 0.00015