data_global
_chemical_name_mineral 'Nickelschneebergite'
loop_
_publ_author_name
'Krause W'
'Bernhardt H J'
'Effenberger H'
'Witzke T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 14 
_journal_year 2002
_journal_page_first 115
_journal_page_last 126
_publ_section_title
;
 Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany:
 the first Bi-bearing members of the tsumcorite group
 Sample: #374
;
_database_code_amcsd 0006925
_chemical_compound_source 'Schneeberg, Saxony, Germany'
_chemical_formula_sum '(Bi.551 Ca.449) Ni Co.62 Fe.4 As2 O10 H3'
_cell_length_a 8.995
_cell_length_b 6.207
_cell_length_c 7.462
_cell_angle_alpha 90
_cell_angle_beta 115.00
_cell_angle_gamma 90
_cell_volume 377.584
_exptl_crystal_density_diffrn      4.957
_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
BiMe1   0.00000   0.00000   0.00000   0.55100   0.01540
CaMe1   0.00000   0.00000   0.00000   0.44900   0.01540
NiMe2   0.25000   0.25000   0.50000   0.50000   0.00860
CoMe2   0.25000   0.25000   0.50000   0.31000   0.00860
FeMe2   0.25000   0.25000   0.50000   0.20000   0.00860
As   0.91509   0.50000   0.20707   1.00000   0.00930
O-H1   0.34760   0.50000   0.41410   0.50000   0.01700
Wat1   0.34760   0.50000   0.41410   0.50000   0.01700
O2   0.32030   0.00000   0.36580   1.00000   0.00900
O3   0.03300   0.28100   0.24250   1.00000   0.01200
O4   0.24240   0.50000   0.02040   1.00000   0.01800
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
BiMe1 0.01840 0.01260 0.01680 0.00000 0.00910 0.00000
CaMe1 0.01840 0.01260 0.01680 0.00000 0.00910 0.00000
NiMe2 0.00890 0.00780 0.00840 0.00020 0.00310 0.00000
CoMe2 0.00890 0.00780 0.00840 0.00020 0.00310 0.00000
FeMe2 0.00890 0.00780 0.00840 0.00020 0.00310 0.00000
As 0.00840 0.00880 0.01140 0.00000 0.00480 0.00000
O-H1 0.02000 0.01700 0.01500 0.00000 0.00800 0.00000
Wat1 0.02000 0.01700 0.01500 0.00000 0.00800 0.00000
O2 0.01100 0.00600 0.01900 0.00000 0.01400 0.00000
O3 0.01700 0.00900 0.01300 0.00400 0.00700 0.00000
O4 0.02200 0.02700 0.00400 0.00000 0.00400 0.00000