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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
loop_
_publ_author_name
'Makovicky E'
'Norrestam R'
_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
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              179
_journal_page_last               194
_journal_volume                  171
_journal_year                    1985
_chemical_formula_sum            'Bi0.51 Cu0.16 Pb2.16 S5 Sb1.31'
_[local]_cod_chemical_formula_sum_orig 'Cu.16 Pb2.16 Sb1.31 Bi.51 S5'
_chemical_name_mineral           Jaskolskiite
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.312
_cell_length_b                   19.8290
_cell_length_c                   4.088
_cell_volume                     916.961
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_U_iso_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
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
PbM1 0.03920 0.02710 0.03370 0.00000 0.00000 -0.00260
SbM1 0.03920 0.02710 0.03370 0.00000 0.00000 -0.00260
SbM4 0.03470 0.01570 0.03740 0.00000 0.00000 0.00110
BiM4 0.03470 0.01570 0.03740 0.00000 0.00000 0.00110
PbM2 0.03410 0.02810 0.03460 0.00000 0.00000 0.00060
BiM2 0.03410 0.02810 0.03460 0.00000 0.00000 0.00060
PbM3 0.05130 0.01630 0.03470 0.00000 0.00000 -0.00070
_cod_database_code 9008364