#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008287.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_9008287
loop_
_publ_author_name
'Evans, H. T.'
_publ_section_title
;
 The crystal structures of low chalocite and djurleite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              299
_journal_page_last               320
_journal_volume                  150
_journal_year                    1979
_chemical_compound_source        'Bristol Connecticut, USA'
_chemical_formula_sum            'Cu2 S'
_chemical_name_mineral           Chalcocite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.35
_cell_angle_gamma                90
_cell_length_a                   15.246
_cell_length_b                   11.884
_cell_length_c                   13.494
_cell_formula_units_Z            48
_cell_volume                     2190.864
_database_code_amcsd             0010817
_exptl_crystal_density_diffrn    5.790
_cod_database_code               9008287
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.86450 0.24960 0.29270
Cu2 0.61710 0.07400 0.67650
Cu3 0.61020 0.09160 0.16770
Cu4 0.36280 0.24000 0.07310
Cu5 0.12760 0.08490 0.94510
Cu6 0.10650 0.07830 0.44290
Cu7 0.93450 0.12330 0.99230
Cu8 0.94140 0.14120 0.50990
Cu9 0.76150 0.25040 0.41090
Cu10 0.44290 0.14770 0.93480
Cu11 0.42540 0.12290 0.43880
Cu12 0.25780 0.23570 0.85070
Cu13 0.82090 0.03580 0.68300
Cu14 0.78300 0.06240 0.16710
Cu15 0.02610 0.20450 0.77220
Cu16 0.50260 0.07950 0.28340
Cu17 0.30220 0.04340 0.62300
Cu18 0.30500 0.04310 0.13390
Cu19 0.52430 0.20820 0.75430
Cu20 0.99920 0.08560 0.21660
Cu21 0.62270 0.10320 0.95310
Cu22 0.70370 0.19440 0.56590
Cu23 0.20280 0.20690 0.13980
Cu24 0.13080 0.09660 0.67910
S1 0.95750 0.08290 0.84220
S2 0.94130 0.07680 0.34620
S3 0.79400 0.08240 0.50680
S4 0.79170 0.08170 0.00600
S5 0.44910 0.08830 0.61330
S6 0.44440 0.07260 0.09570
S7 0.29990 0.07810 0.78680
S8 0.28430 0.08320 0.28690
S9 0.69600 0.24810 0.72200
S10 0.54790 0.22370 0.41670
S11 0.19700 0.23840 0.47660
S12 0.04830 0.23240 0.13320
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010817
