data_global
_chemical_name_mineral 'Rappoldite'
loop_
_publ_author_name
'Effenberger H'
'Krause W'
'Bernhardt H J'
'Martin M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 64 
_journal_year 2000
_journal_page_first 1109
_journal_page_last 1126
_publ_section_title
;
 On the symmetry of tsumcorite group minerals based on the new species
 rappoldite and zincgartrellite
;
_database_code_amcsd 0014555
_chemical_compound_source 'Rappold mine, near Schneeberg, Saxony, Germany'
_chemical_formula_sum 'Pb (Co Ni.64 Zn.36) As2 (O10 H4)'
_cell_length_a 5.595
_cell_length_b 5.572
_cell_length_c 7.593
_cell_angle_alpha 70.19
_cell_angle_beta 70.41
_cell_angle_gamma 69.23
_cell_volume 201.911
_exptl_crystal_density_diffrn      5.273
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
PbMe1   0.00000   0.00000   0.00000   1.00000   0.03400
CoMe2a   0.00000   0.50000   0.50000   0.50000   0.02100
NiMe2a   0.00000   0.50000   0.50000   0.32000   0.02100
ZnMe2a   0.00000   0.50000   0.50000   0.18000   0.02100
CoMe2b   0.50000   0.00000   0.50000   0.50000   0.02010
NiMe2b   0.50000   0.00000   0.50000   0.32000   0.02010
ZnMe2b   0.50000   0.00000   0.50000   0.18000   0.02010
As   0.42410   0.42200   0.77510   1.00000   0.02030
Wat1   0.15750   0.15560   0.40450   1.00000   0.03300
O2   0.31190   0.31260   0.64460   1.00000   0.02300
O3a   0.24720   0.68430   0.26110   1.00000   0.03000
O3b   0.68200   0.24560   0.26080   1.00000   0.02700
O4   0.28380   0.28030   0.00560   1.00000   0.05400
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
PbMe1 0.04260 0.03000 0.02570 -0.00310 -0.00840 -0.00990
CoMe2a 0.02430 0.01690 0.02450 0.00000 -0.00890 -0.01120
NiMe2a 0.02430 0.01690 0.02450 0.00000 -0.00890 -0.01120
ZnMe2a 0.02430 0.01690 0.02450 0.00000 -0.00890 -0.01120
CoMe2b 0.02100 0.01630 0.02500 0.00040 -0.00860 -0.01030
NiMe2b 0.02100 0.01630 0.02500 0.00040 -0.00860 -0.01030
ZnMe2b 0.02100 0.01630 0.02500 0.00040 -0.00860 -0.01030
As 0.02520 0.01840 0.02300 -0.00500 -0.00870 -0.01000
Wat1 0.02200 0.02400 0.06500 0.00400 -0.02700 -0.01800
O2 0.02400 0.01800 0.03500 -0.00400 -0.01400 -0.01200
O3a 0.02700 0.03100 0.04000 -0.01500 -0.01900 0.00000
O3b 0.03100 0.01600 0.03900 -0.00900 0.00300 -0.02100
O4 0.07100 0.07900 0.02100 -0.04000 -0.00200 -0.01000