#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004080.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_9004080
loop_
_publ_author_name
'Kocman V'
'Nuffield E W'
_publ_section_title
;
 The crystal structure of antimonian hauchecornite from Westphalia
 Locality: Westphalia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              269
_journal_page_last               274
_journal_volume                  12
_journal_year                    1974
_chemical_formula_sum            'Bi1.3 Ni9 S8 Sb0.7'
_[local]_cod_chemical_formula_sum_orig 'Bi1.3 Sb.7 Ni9 S8'
_chemical_name_mineral           Hauchecornite
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.300
_cell_length_b                   7.300
_cell_length_c                   5.402
_cell_volume                     287.873
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,x,-z
y,-x,-z
-y,x,z
x,-y,z
-x,y,-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
-y,x,-z
y,-x,z
-x,y,z
x,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi 0.00000 0.00000 0.00000 1.00000
SbM 0.50000 0.50000 0.50000 0.70000
BiM 0.50000 0.50000 0.50000 0.30000
Ni1 0.00000 0.00000 0.50000 1.00000
Ni2 0.18076 0.50000 0.25249 1.00000
S1 0.31274 0.00000 0.50000 1.00000
S2 0.26961 0.26961 0.00000 1.00000
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
Bi 0.01404 0.01404 0.00414 0.00000 0.00000 0.00000
SbM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000
BiM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000
Ni1 0.00783 0.00783 0.00665 0.00000 0.00000 0.00000
Ni2 0.02268 0.01404 0.00754 0.00000 0.00280 0.00000
S1 0.00729 0.01026 0.00340 0.00000 0.00000 0.00000
S2 0.00081 0.00891 0.00488 0.00054 0.00000 0.00000