data_global
_chemical_name_mineral 'Keyite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 34 
_journal_year 1996
_journal_page_first 623
_journal_page_last 630
_publ_section_title
;
 The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral
 with essential cadmium
;
_database_code_amcsd 0005498
_chemical_formula_sum 'Cu1.5 Zn2 Cd As3 O14 H4'
_cell_length_a 11.654
_cell_length_b 12.780
_cell_length_c 6.840
_cell_angle_alpha 90
_cell_angle_beta 99.11
_cell_angle_gamma 90
_cell_volume 1005.887
_exptl_crystal_density_diffrn      5.225
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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   0.75000   0.25000   0.25000   0.50000 ?
Cu2   0.25000   0.24020   0.00000   1.00000 ?
Zn   0.52460   0.09280   0.15830   1.00000 ?
Cd   0.75000   0.49640   0.00000   1.00000 ?
As1   0.25000   0.02770   0.00000   1.00000 ?
As2   0.50570   0.36380   0.14140   1.00000 ?
O1   0.97500   0.06500   0.14700   1.00000   0.01020
O2   0.57000   0.24600   0.18800   1.00000   0.01340
O3   0.35000   0.12200   0.09000   1.00000   0.01450
O4   0.93100   0.41900   0.04100   1.00000   0.01180
O5   0.70800   0.04500   0.18400   1.00000   0.01510
O6   0.36200   0.35000   0.06300   1.00000   0.01220
Wat   0.75000   0.26800   0.02300   1.00000   0.01200
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 0.00760 0.01560 0.02540 0.00520 0.00240 -0.00830
Cu2 0.00480 0.00680 0.02790 0.00000 0.00000 0.00000
Zn 0.00550 0.00490 0.02340 0.00010 0.00190 -0.00120
Cd 0.00380 0.00930 0.02740 0.00000 -0.00080 0.00000
As1 0.00300 0.00640 0.02220 0.00000 0.00360 0.00000
As2 0.00340 0.00340 0.02040 -0.00030 0.00140 -0.00130