data_global
_chemical_name_mineral 'Wilhelmkleinite'
loop_
_publ_author_name
'Adiwidjaja G'
'Friese K'
'Klaska K H'
'Moore P B'
'Schluter J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 215 
_journal_year 2000
_journal_page_first 96
_journal_page_last 101
_publ_section_title
;
 The crystal structure of the new mineral wilhelmkleinite ZnFe3+2(OH)2(AsO4)2
;
_database_code_amcsd 0011085
_chemical_compound_source 'Tsumeb mine, Namibia'
_chemical_formula_sum 'Zn Fe2 As2 O10 H2'
_cell_length_a 6.631
_cell_length_b 7.611
_cell_length_c 7.377
_cell_angle_alpha 90
_cell_angle_beta 91.80
_cell_angle_gamma 90
_cell_volume 372.123
_exptl_crystal_density_diffrn      4.364
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+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
Zn   0.00000   0.00000   0.50000   0.01115
Fe   0.22856   0.36444   0.26271   0.00717
As   0.24265   0.62398   0.63321   0.00579
O1   0.22200   0.44359   0.50673   0.01230
O2   0.06002   0.63490   0.78564   0.00970
O3   0.46181   0.61580   0.75421   0.01040
O4   0.23482   0.80790   0.50638   0.00970
O5   0.24552   0.11675   0.35613   0.00870
H   0.33600   0.11800   0.42200   0.05000
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
Zn 0.01083 0.01456 0.00814 0.00197 0.00176 -0.00273
Fe 0.00689 0.00766 0.00703 -0.00046 0.00116 -0.00041
As 0.00557 0.00680 0.00501 0.00030 0.00030 0.00039
O1 0.01860 0.00960 0.00880 -0.00020 0.00060 -0.00330
O2 0.00660 0.01510 0.00770 -0.00020 0.00200 -0.00060
O3 0.00530 0.01760 0.00810 -0.00010 -0.00130 0.00330
O4 0.01240 0.00850 0.00820 0.00200 0.00140 0.00320
O5 0.01020 0.00790 0.00800 -0.00090 -0.00080 0.00000