data_global
_chemical_name_mineral 'Mrazekite'
loop_
_publ_author_name
'Ridkosil T'
'Srein V'
'Fabry J'
'Hybler J'
'Maximov B A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 30 
_journal_year 1992
_journal_page_first 215
_journal_page_last 224
_publ_section_title
;
 Mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O, a new mineral species
 and its crystal structure
;
_database_code_amcsd 0005275
_chemical_formula_sum 'Bi2 Cu3 P2 O14 H6'
_cell_length_a 12.359
_cell_length_b 6.331
_cell_length_c 9.060
_cell_angle_alpha 90
_cell_angle_beta 122.71
_cell_angle_gamma 90
_cell_volume 596.479
_exptl_crystal_density_diffrn      5.014
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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   0.15950   0.00000   0.09070   0.01950
Cu1   0.00000   0.50000   0.00000   0.01520
Cu2   0.25000   0.25000   0.50000   0.02216
P   0.30610   0.50000   0.25220   0.01393
O1   0.16390   0.00000   0.36070   0.02406
O-H2   0.08560   0.00000  -0.21460   0.02533
O3   0.18050   0.50000   0.06910   0.02786
O4   0.00000   0.20700   0.00000   0.02786
O5   0.31530   0.30280   0.35260   0.04179
Wat6   0.03660   0.50000   0.32480   0.03926