#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009416.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_9009416
_chemical_name '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
 Locality: Schneeberg, Germany
;
_chemical_formula_sum 'Pb (Co.79 Fe.73 Ni.4 Zn.04 Al.04) As2 O10.2 H6'
_cell_length_a 9.107
_cell_length_b 6.316
_cell_length_c 7.571
_cell_angle_alpha 90
_cell_angle_beta 115.02
_cell_angle_gamma 90
_cell_volume 394.617
_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
Pb1   0.00000   0.00000   0.00000   1.00000   0.02180
Co2   0.25000   0.25000   0.50000   0.39500   0.01000
Fe2   0.25000   0.25000   0.50000   0.36500   0.01000
Ni2   0.25000   0.25000   0.50000   0.20000   0.01000
Zn2   0.25000   0.25000   0.50000   0.02000   0.01000
Al2   0.25000   0.25000   0.50000   0.02000   0.01000
As   0.91849   0.50000   0.21755   1.00000   0.00930
O2   0.30960   0.00000   0.35490   1.00000   0.01300
O3   0.03510   0.27950   0.26560   1.00000   0.01240
O4   0.22190   0.50000   0.01390   1.00000   0.02370
O-H1   0.34250   0.50000   0.40760   0.35000   0.01360
Wat1   0.34250   0.50000   0.40760   0.75000   0.01360