data_global
_chemical_name_mineral 'Veszelyite'
loop_
_publ_author_name
'Ghose S'
'Leo S R'
'Wan C'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 573
_journal_page_last 581
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. Part I. Veszelyite,
 (Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal
 chemistry of copper-zinc substitution
;
_database_code_amcsd 408
_chemical_compound_source 'Arakawa mine, Japan'
_chemical_formula_sum 'Cu1.77 Zn1.23 P O9 H7'
_cell_length_a 9.8275
_cell_length_b 10.2244
_cell_length_c 7.5322
_cell_angle_alpha 90.0
_cell_angle_beta 103.18
_cell_angle_gamma 90.0
_cell_volume 736.901
_exptl_crystal_density_diffrn  3.379
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.12991  0.07328  0.49115  0.885
Zn1   0.12991  0.07328  0.49115  0.115
Cu2   0.35837  0.25318  0.45957  0.885
Zn2   0.35837  0.25318  0.45957  0.115
Zn   0.21036  0.07612  0.06936  1.0
P   0.41433  0.29884  0.06551  1.0
O1   0.0323  0.15904  0.97475  1.0
O2   0.35754  0.16623  0.98344  1.0
O3   0.46803  0.28632  0.27424  1.0
O4   0.29531  0.39994  0.02472  1.0
O-H1   0.26853  0.08673  0.33723  1.0
O-H2   0.23522  0.21782  0.6233  1.0
O-H3   0.46392  0.40724  0.60096  1.0
Wat1   0.0371  0.38414  0.65793  1.0
Wat2   0.19138  0.40815  0.3193  1.0
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
Cu1   0.01475  0.00911  0.01589  -0.00347  0.00796  -0.00296
Zn1   0.01475  0.00911  0.01589  -0.00347  0.00796  -0.00296
Cu2   0.01489  0.00874  0.01436  -0.00307  0.0075  -0.00148
Zn2   0.01489  0.00874  0.01436  -0.00307  0.0075  -0.00148
Zn   0.01429  0.00974  0.01455  -0.00099  0.0053  -0.00152
P   0.01266  0.00821  0.01229  0.0001  0.0059  0.0008
O1   0.01503  0.01705  0.01507  0.00595  0.00597  0.00065
O2   0.02162  0.00805  0.0194  -0.00436  0.00899  -0.00262
O3   0.02013  0.01255  0.00959  -0.00278  0.00626  -0.0008
O4   0.01693  0.01006  0.02463  0.00451  0.00821  0.0068
O-H1   0.01967  0.01001  0.01226  -0.00069  0.0096  -0.00049
O-H2   0.0154  0.01165  0.01327  -0.00372  0.0075  -0.00156
O-H3   0.00974  0.00853  0.01534  -0.00134  0.0053  -0.00099
Wat1   0.01832  0.01975  0.03417  0.0002  0.0038  -0.00072
Wat2   0.02639  0.02383  0.02125  0.00169  0.0107  4e-05