data_global
_chemical_name_mineral 'Aurichalcite'
loop_
_publ_author_name
'Harding M M'
'Kariuki B M'
'Cernik R'
'Cressey G'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 50 
_journal_year 1994
_journal_page_first 673
_journal_page_last 676
_publ_section_title
;
 The structure of aurichalcite, (Cu,Zn)5(OH)6(CO3)2, determined from
 a microcrystal
;
_chemical_formula_sum 'Cu2 Zn3 (O12 C2) H6'
_cell_length_a 13.82
_cell_length_b 6.419
_cell_length_c 5.29
_cell_angle_alpha 90
_cell_angle_beta 101.04
_cell_angle_gamma 90
_cell_volume 460.594
_exptl_crystal_density_diffrn      3.932
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-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
_atom_site_U_iso_or_equiv
Cu1   0.23710   0.75000   0.92820   0.50000   0.00900
Zn1   0.23710   0.75000   0.92820   0.50000   0.00900
Cu2   0.24780   0.49720   0.42060   0.50000   0.00900
Zn2   0.24780   0.49720   0.42060   0.50000   0.00900
Zn3   0.12420   0.25000   0.86550   1.00000   0.00900
Cu4   0.39130   0.25000   0.88390   0.50000   0.00900
Zn4   0.39130   0.25000   0.88390   0.50000   0.00900
O-H1   0.31150   0.75000   0.29900   1.00000   0.00600
O-H2   0.32820   0.98270   0.76070   1.00000   0.00400
O-H3   0.18040   0.25000   0.54460   1.00000   0.00700
O-H4   0.16170   0.00090   0.07110   1.00000   0.01200
C1   0.44490   0.25000   0.36530   1.00000 ?
O11   0.35150   0.25000   0.29810   1.00000   0.01800
O12   0.48630   0.25000   0.60910   1.00000   0.04000
O13   0.50090   0.25000   0.19640   1.00000   0.01100
C2   0.05360   0.75000   0.51410   1.00000 ?
O21   0.15210   0.75000   0.59160   1.00000   0.00800
O22   0.01830   0.75000   0.27370   1.00000   0.00700
O23   0.00600   0.75000   0.69900   1.00000   0.02200

