data_global
_chemical_name_mineral 'Cobalttsumcorite'
loop_
_publ_author_name
'Krause W'
'Bernhardt H J'
'Effenberger H'
'Martin M'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 2001
_journal_year 2001
_journal_page_first 588
_journal_page_last 576
_publ_section_title
;
 Cobalttsumcorite and nickellotharmeyerite, two new minerals from
 Schneeberg, Germany: description and crystal structure
;
_database_code_amcsd 14915
_chemical_compound_source 'Schneeberg, Germany'
_chemical_formula_sum 'Pb (Co.79 Fe.73 Ni.4 Zn.04 Al.04) As2 O10.2 H3.7'
_cell_length_a 9.107
_cell_length_b 6.316
_cell_length_c 7.571
_cell_angle_alpha 90.0
_cell_angle_beta 115.02
_cell_angle_gamma 90.0
_cell_volume 394.617
_exptl_crystal_density_diffrn  5.373
_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
_atom_site_U_iso_or_equiv
Pb1   0.0  0.0  0.0  1.0  0.0218
Co2   0.25  0.25  0.5  0.395  0.01
Fe2   0.25  0.25  0.5  0.365  0.01
Ni2   0.25  0.25  0.5  0.2  0.01
Zn2   0.25  0.25  0.5  0.02  0.01
Al2   0.25  0.25  0.5  0.02  0.01
As   0.91849  0.5  0.21755  1.0  0.0093
O2   0.3096  0.0  0.3549  1.0  0.013
O3   0.0351  0.2795  0.2656  1.0  0.0124
O4   0.2219  0.5  0.0139  1.0  0.0237
O-H1   0.3425  0.5  0.4076  0.35  0.0136
Wat1   0.3425  0.5  0.4076  0.75  0.0136
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   0.0211  0.0217  0.0175  0.0  0.0034  0.0
Co2   0.0088  0.0095  0.0105  -0.0002  0.003  0.0003
Fe2   0.0088  0.0095  0.0105  -0.0002  0.003  0.0003
Ni2   0.0088  0.0095  0.0105  -0.0002  0.003  0.0003
Zn2   0.0088  0.0095  0.0105  -0.0002  0.003  0.0003
Al2   0.0088  0.0095  0.0105  -0.0002  0.003  0.0003
As   0.0077  0.0106  0.01  0.0  0.0041  0.0
O2   0.01  0.018  0.013  0.0  0.007  0.0
O3   0.009  0.009  0.017  -0.002  0.004  0.002
O4   0.013  0.041  0.013  0.0  0.0  0.0
O-H1   0.009  0.016  0.018  0.0  0.007  0.0
Wat1   0.009  0.016  0.018  0.0  0.007  0.0