data_global
_chemical_name_mineral 'Tsumcorite'
loop_
_publ_author_name
'Tillmanns E'
'Gebert W'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 29 
_journal_year 1973
_journal_page_first 2789
_journal_page_last 2794
_publ_section_title
;
 The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa
;
_database_code_amcsd 0009499
_chemical_compound_source 'Tsumeb mine, Namibia, Africa'
_chemical_formula_sum 'Pb Zn Fe As2 O10 H3'
_cell_length_a 9.124
_cell_length_b 6.329
_cell_length_c 7.577
_cell_angle_alpha 90
_cell_angle_beta 115.28
_cell_angle_gamma 90
_cell_volume 395.637
_exptl_crystal_density_diffrn      5.383
_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_occupancy
Pb   0.00000   0.00000   0.00000   1.00000
Zn   0.25000   0.25000   0.50000   0.50000
Fe3+   0.25000   0.25000   0.50000   0.38000
Fe2+   0.25000   0.25000   0.50000   0.12000
As   0.91790   0.50000   0.21550   1.00000
O2   0.31040   0.00000   0.35450   1.00000
O3   0.03480   0.28080   0.26500   1.00000
O4   0.22150   0.50000   0.01470   1.00000
Wat1   0.34050   0.50000   0.40660   0.50000
O-H1   0.34050   0.50000   0.40660   0.50000
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 0.02318 0.02191 0.01570 0.00000 0.00431 0.00000
Zn 0.00760 0.00671 0.00785 0.00000 0.00177 0.00000
Fe3+ 0.00760 0.00671 0.00785 0.00000 0.00177 0.00000
Fe2+ 0.00760 0.00671 0.00785 0.00000 0.00177 0.00000
As 0.00659 0.01013 0.00722 0.00000 0.00405 0.00000
O2 0.00887 0.01900 0.01393 0.00000 0.00760 0.00000
O3 0.01013 0.01013 0.01140 0.00000 0.00253 -0.00253
O4 0.01267 0.04053 0.00887 0.00000 -0.00127 0.00000
Wat1 0.00760 0.01647 0.01393 0.00000 0.00760 0.00000
O-H1 0.00760 0.01647 0.01393 0.00000 0.00760 0.00000