data_global
_chemical_name_mineral 'Ianbruceite'
loop_
_publ_author_name
'Cooper M A'
'Abdu Y A'
'Ball N A'
'Hawthorne F C'
'Back M E'
'Tait K T'
'Schluter J'
'Malcherek T'
'Pohl D'
'Gebhard G'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 1119
_journal_page_last 1131
_publ_section_title
;
 Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from
 the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
;
_database_code_amcsd 0019546
_chemical_compound_source 'Tsumeb mine, Namibia'
_chemical_formula_sum 'As1.079 Zn2 O7.87 H6.74'
_cell_length_a 11.793
_cell_length_b 9.1138
_cell_length_c 6.8265
_cell_angle_alpha 90
_cell_angle_beta 103.859
_cell_angle_gamma 90
_cell_volume 712.346
_exptl_crystal_density_diffrn      3.211
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
As1   0.36080   0.91756   0.09520   1.00000   0.01890
As2   0.80600   0.77700   0.49200   0.04800   0.00400
As3   0.77800   0.68600   0.48400   0.03100   0.01100
Zn1   0.61790   0.04130   0.40160   1.00000   0.02080
Zn2   0.60590   0.75910   0.14900   1.00000   0.02350
O1   0.43190   0.75710   0.09690   1.00000   0.01700
Wat2   0.79640   0.08820   0.51180   1.00000   0.03000
O3   0.22010   0.88610   0.08100   1.00000   0.03200
O-H4   0.66900   0.81340   0.43070   1.00000   0.02400
O5   0.42670   0.01100   0.31020   1.00000   0.02300
O6   0.37250   0.01300  -0.11040   1.00000   0.02300
Wat7   0.05600   0.98700  -0.20300   0.96000   0.17000
Wat8   0.91300   0.76900   0.58500   0.91000   0.17000
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
As1 0.03800 0.01060 0.00890 0.00040 0.00730 -0.00080
Zn1 0.03870 0.01200 0.01290 0.00150 0.00830 -0.00050
Zn2 0.03980 0.01980 0.01240 -0.00030 0.00930 -0.00510
O1 0.02000 0.01500 0.01700 0.00400 0.00600 0.00100
Wat2 0.00900 0.04500 0.03000 -0.00200 -0.00300 0.02700
O3 0.02200 0.02000 0.05400 -0.00200 0.01100 -0.01700
O-H4 0.04800 0.01100 0.01600 -0.00200 0.01100 0.00600
O5 0.04800 0.01200 0.01000 0.00000 0.00700 -0.00200
O6 0.03800 0.02300 0.00700 -0.00200 0.00600 0.00400
Wat7 0.10000 0.11000 0.24000 0.03500 -0.08000 -0.03000
Wat8 0.11000 0.13000 0.25000 -0.04000 -0.05000 0.00000