data_global
_chemical_name_mineral 'Mawbyite'
loop_
_publ_author_name
'Kharisun'
'Taylor M R'
'Bevan D J M'
'Rae A D'
'Pring A'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 61 
_journal_year 1997
_journal_page_first 685
_journal_page_last 691
_publ_section_title
;
 The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
;
_database_code_amcsd 0014531
_chemical_compound_source 'Broken Hill, New South Wales, Australia, type specimen'
_chemical_formula_sum 'Pb Fe2 As2 O10 H2'
_cell_length_a 9.066
_cell_length_b 6.286
_cell_length_c 7.564
_cell_angle_alpha 90
_cell_angle_beta 114.857
_cell_angle_gamma 90
_cell_volume 391.130
_exptl_crystal_density_diffrn      5.356
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb   0.00000   0.00000   0.00000   0.02500
Fe   0.25000   0.25000   0.50000   0.01300
As   0.91760   0.50000   0.21310   0.01600
O1   0.34210   0.50000   0.41010   0.01400
O2   0.31030   0.00000   0.35530   0.01800
O3   0.03700   0.28260   0.27010   0.01800
O4   0.21970   0.50000   0.01270   0.02800
H   0.29730   0.50000   0.26460 ?
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
Pb 0.02400 0.02200 0.02800 0.00000 -0.00300 0.00000
Fe 0.01200 0.00800 0.01700 0.00100 -0.00200 -0.01300
As 0.01100 0.01600 0.02100 0.00000 0.00100 0.00000
O1 0.00300 0.02300 0.01500 0.00000 -0.00400 0.00000
O2 0.00500 0.02100 0.02800 0.00000 0.00000 0.00000
O3 0.01600 0.01400 0.02400 0.00400 -0.00100 -0.00800
O4 0.02400 0.03700 0.02300 0.00000 -0.00400 0.00000