#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009417.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009417
_chemical_name '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
 Locality: Schneeberg, Germany
;
_chemical_formula_sum '(Ca.969 Bi.031) (Ni1.1 Fe.7 Co.2) As2 O10 H5.5'
_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
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_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