#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/83/9008390.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_9008390
loop_
_publ_author_name
'Fjellvag, H.'
'Gronvold, F.'
'Stolen, S.'
'Andresen, A. F.'
'Mueller-Kaefer R'
'Simon, A.'
_publ_section_title
;
 Low-temperature structural distortion in CuS
 Sample: T = 8 K
 Note: Cell parameters estimated from Figure 1
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              111
_journal_page_last               121
_journal_volume                  184
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.763
_cell_length_b                   6.568
_cell_length_c                   16.225
_cell_formula_units_Z            12
_cell_volume                     401.007
_database_code_amcsd             0010981
_diffrn_ambient_temperature      8
_exptl_crystal_density_diffrn    4.751
_cod_database_code               9008390
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.00000 0.36230 0.75000 0.00253
Cu2 0.00000 0.33720 0.10700 0.00253
S1 0.00000 0.30680 0.25000 0.00443
S2 0.00000 0.00080 0.06270 0.00443
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010981
