data_9008390
_chemical_name 'Covellite'
loop_
_publ_author_name
'Fjellvag H'
'Gronvold F'
'Stolen S'
'Andresen A F'
'Mueller-Kaefer R'
'Simon A'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 184
_journal_year 1988
_journal_page_first 111
_journal_page_last 121
_publ_section_title
;
 Low-temperature structural distortion in CuS
 Locality: synthetic
 Sample: T = 8 K
 Note: Cell parameters estimated from Figure 1
;
_chemical_formula_sum 'Cu S'
_cell_length_a 3.763
_cell_length_b 6.568
_cell_length_c 16.225
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 401.007
_symmetry_space_group_name_H-M 'C m c m'
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_Uiso_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