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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008390.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_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
 Locality: synthetic
 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_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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_volume                     401.007
_diffrn_ambient_temperature      8
loop_
_symmetry_equiv_pos_as_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
_cod_database_code 9008390