data_global
_chemical_name_mineral 'Nickellotharmeyerite'
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 0014916
_chemical_compound_source 'Schneeberg, Germany'
_chemical_formula_sum '(Ca.969 Bi.031) (Ni1.1 Fe.7 Co.2) As2 O10 H3'
_cell_length_a 9.040
_cell_length_b 6.229
_cell_length_c 7.397
_cell_angle_alpha 90
_cell_angle_beta 115.32
_cell_angle_gamma 90
_cell_volume 376.512
_exptl_crystal_density_diffrn      4.178
_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
Ca1   0.00000   0.00000   0.00000   0.96900   0.02260
Bi1   0.00000   0.00000   0.00000   0.03100   0.02260
Ni2   0.25000   0.25000   0.50000   0.55000   0.01520
Fe2   0.25000   0.25000   0.50000   0.35000   0.01520
Co2   0.25000   0.25000   0.50000   0.10000   0.01520
As2   0.91699   0.50000   0.20906   1.00000   0.01470
O2   0.31940   0.00000   0.36620   1.00000   0.01880
O3   0.03540   0.27850   0.24690   1.00000   0.01740
O4   0.24210   0.50000   0.01810   1.00000   0.02560
O-H1   0.34360   0.50000   0.40730   0.50000   0.01740
Wat1   0.34360   0.50000   0.40730   0.50000   0.01740
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
Ca1 0.02560 0.01970 0.02510 0.00000 0.01320 0.00000
Bi1 0.02560 0.01970 0.02510 0.00000 0.01320 0.00000
Ni2 0.01380 0.01310 0.01780 -0.00010 0.00570 -0.00030
Fe2 0.01380 0.01310 0.01780 -0.00010 0.00570 -0.00030
Co2 0.01380 0.01310 0.01780 -0.00010 0.00570 -0.00030
As2 0.01220 0.01460 0.01750 0.00000 0.00650 0.00000
O2 0.02100 0.01400 0.02700 0.00000 0.01600 0.00000
O3 0.01500 0.01700 0.01800 0.00120 0.00510 -0.00110
O4 0.01600 0.03500 0.02000 0.00000 0.00300 0.00000
O-H1 0.01400 0.01600 0.02400 0.00000 0.01000 0.00000
Wat1 0.01400 0.01600 0.02400 0.00000 0.01000 0.00000