data_global
_chemical_name_mineral 'Schlemaite'
loop_
_publ_author_name
'Forster H J'
'Cooper M A'
'Roberts A C'
'Stanley C J'
'Criddle A J'
'Hawthorne F C'
'Laflamme J H G'
'Tischendorf G'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 1433
_journal_page_last 1444
_publ_section_title
;
 Schlemaite, (Cu,_)6(Pb,Bi)Se4, a new mineral species from Niederschlema-Alberoda,
 Erzgebirge, Germany: Description and crystal structure
;
_database_code_amcsd 0005918
_chemical_compound_source 'Niederschlema-Alberoda, Erzgebirge, Germany'
_chemical_formula_sum 'Cu5.85 Ag.2 (Pb.61 Bi.39) Se4'
_cell_length_a 9.5341
_cell_length_b 4.1004
_cell_length_c 10.2546
_cell_angle_alpha 90
_cell_angle_beta 100.066
_cell_angle_gamma 90
_cell_volume 394.719
_exptl_crystal_density_diffrn      7.716
_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_occupancy
_atom_site_U_iso_or_equiv
Cu1  -0.08720   0.25000  -0.04090   1.00000   0.03500
Cu2   0.25880   0.25000   0.02730   1.00000   0.03400
Cu3   0.58300   0.25000   0.47400   0.54000   0.02400
Cu4   0.50000   0.32700  -0.08490   0.92000   0.04400
Cu5   0.71270   0.07500   0.72080   0.48000   0.06200
Cu6   0.50900   0.25000   0.21200   0.18000   0.01800
Cu7   0.56100   0.25000   0.89100   0.07000   0.01000
Cu8   0.53700   0.25000   0.44600   0.26000   0.03600
Ag   0.34570   0.25000   0.29120   0.20000   0.05400
Pb   0.11780   0.25000   0.67020   0.61000   0.03540
Bi   0.11780   0.25000   0.67020   0.39000   0.03540
Se1   0.16500   0.75000   0.48870   1.00000   0.01790
Se2   0.30080   0.75000  -0.08800   1.00000   0.01710
Se3   0.08830   0.25000   0.18370   1.00000   0.01880
Se4   0.52890   0.75000   0.32680   1.00000   0.02380
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
Cu1 0.04800 0.02000 0.04200 0.00000 0.01800 0.00000
Cu2 0.04400 0.02300 0.04300 0.00000 0.02600 0.00000
Cu3 0.01300 0.03600 0.02400 0.00000 0.00500 0.00000
Cu4 0.03800 0.05600 0.03400 0.01400 -0.00400 -0.00100
Cu5 0.03800 0.08300 0.06500 0.02900 0.01200 0.03900
Ag 0.03500 0.05700 0.06100 0.00000 -0.01700 0.00000
Pb 0.04600 0.02200 0.04250 0.00000 0.02000 0.00000
Bi 0.04600 0.02200 0.04250 0.00000 0.02000 0.00000
Se1 0.01800 0.01900 0.01700 0.00000 0.00400 0.00000
Se2 0.01800 0.01700 0.01700 0.00000 0.00580 0.00000
Se3 0.02400 0.01700 0.01700 0.00000 0.00900 0.00000
Se4 0.02400 0.03000 0.02000 0.00000 0.00900 0.00000