#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9008364.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_9008364
_chemical_name 'Jaskolskiite'
loop_
_publ_author_name
'Makovicky E'
'Norrestam R'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 171
_journal_year 1985
_journal_page_first 179
_journal_page_last 194
_publ_section_title
;
 The crystal structure of jaskolskiite, Cux Pb2+x (Sb,Bi)2-x S5 (x~0.2),
 a member of the meneghinite homologous series
 Locality: Vena ore deposit, Sweden
;
_chemical_formula_sum 'Cu.16 Pb2.16 Sb1.31 Bi.51 S5'
_cell_length_a 11.312
_cell_length_b 19.8290
_cell_length_c 4.088
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 916.961
_symmetry_space_group_name_H-M 'P b n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-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_Uiso_or_equiv
Cu   0.39150   0.25870   0.25000   0.16000   0.02550
PbM1   0.30140  -0.02370   0.25000   0.29000   0.03330
SbM1   0.30140  -0.02370   0.25000   0.71000   0.03330
SbM4   0.37530   0.12810   0.75000   0.60000   0.02930
BiM4   0.37530   0.12810   0.75000   0.40000   0.02930
PbM2   0.49910   0.40430   0.75000   0.87000   0.03230
BiM2   0.49910   0.40430   0.75000   0.11000   0.03230
PbM3   0.16880   0.29230   0.75000   1.00000   0.03410
S1   0.62850   0.47640   0.25000   1.00000   0.02040
S2   0.56320   0.07930   0.25000   1.00000   0.02540
S3   0.24670   0.17110   0.25000   1.00000   0.03090
S4   0.49480   0.23350   0.75000   1.00000   0.02360
S5   0.31840   0.36800   0.25000   1.00000   0.01840