data_global
_chemical_name_mineral 'Schmiederite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 36 
_journal_year 1987
_journal_page_first 3
_journal_page_last 12
_publ_section_title
;
 Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4),
 with a comparison to linarite PbCu(OH)2(SO4)
;
_database_code_amcsd 0014612
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb2 Cu2 Se2 O11 H4'
_cell_length_a 9.922
_cell_length_b 5.712
_cell_length_c 9.396
_cell_angle_alpha 90
_cell_angle_beta 101.96
_cell_angle_gamma 90
_cell_volume 520.954
_exptl_crystal_density_diffrn      5.606
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Pb1   0.31200   0.25000   0.41110 ?
Pb2   0.32800   0.25000   0.96680 ?
Cu  -0.01000  -0.00070   0.24380 ?
Se1   0.35000   0.75000   0.20930 ?
Se2   0.33470   0.75000   0.68900 ?
O11   0.36500   0.75000   0.03400   0.04200
O12   0.24600   0.51400   0.21000   0.01800
O21   0.50000   0.75000   0.75500   0.03100
O22   0.31600   0.75000   0.50600   0.02800
O23   0.26400   0.98900   0.73200   0.02500
O-H1   0.03400   0.75000   0.38800   0.00700
O-H2   0.07700   0.25000   0.37800   0.01100
O-H3   0.05200   0.75000   0.89900   0.00900
O-H4   0.08900   0.25000   0.89300   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
Pb1 0.01710 0.02110 0.02430 0.00000 0.00110 0.00000
Pb2 0.01610 0.03300 0.05290 0.00000 0.00100 0.00000
Cu 0.02200 0.01300 0.01200 -0.00200 0.00200 0.00000
Se1 0.01700 0.01800 0.02000 0.00000 0.00700 0.00000
Se2 0.01100 0.01900 0.01600 0.00000 0.00200 0.00000