#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/83/9008370.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_9008370
loop_
_publ_author_name
'Takeuchi, Y.'
'Kudoh, Y.'
'Sato, G.'
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 18 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.760
_cell_length_b                   3.760
_cell_length_c                   16.20
_cell_formula_units_Z            6
_cell_volume                     198.345
_database_code_amcsd             0010942
_diffrn_ambient_pressure         1.8e+06
_exptl_crystal_density_diffrn    4.803
_cod_database_code               9008370
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-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 0.33333 0.66667 0.75000 0.06839
Cu2 0.33333 0.66667 0.11110 0.01013
S1 0.33333 0.66667 0.25000 0.01773
S2 0.00000 0.00000 0.06900 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010942
