#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011060.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011060
loop_
_publ_author_name
'Craig, D. C.'
'Stephenson, N. C.'
_publ_section_title
;
 The crystal structure of lautite, CuAsS
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              543
_journal_page_last               547
_journal_paper_doi               10.1107/S0365110X65003869
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        'Lauta, Saxony, Germany'
_chemical_formula_sum            'As Cu S'
_chemical_name_mineral           Lautite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.35
_cell_length_b                   5.456
_cell_length_c                   3.749
_cell_formula_units_Z            4
_cell_volume                     232.159
_database_code_amcsd             0009298
_exptl_crystal_density_diffrn    4.879
_cod_original_formula_sum        'Cu As S'
_cod_database_code               9011060
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-y,1/2+z
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
Cu 0.01958 0.05414 0.03809 0.00000 0.03945 -0.00176
As 0.02872 0.04630 0.03218 0.00000 0.00862 0.00124
S 0.02284 0.06530 0.01559 0.00000 0.03233 -0.00124
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu 0.32617 0.43823 0.22992
As 0.48668 0.14766 0.21867
S 0.16668 0.17903 0.21283
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009298
