data_global
_chemical_name_mineral 'Sulvanite'
loop_
_publ_author_name
'Trojer F J'
_journal_name_full 'American Mineralogist'
_journal_volume 51
_journal_year 1966
_journal_page_first 890
_journal_page_last 894
_publ_section_title
;
 Refinement of the structure of sulvanite
 Note: symmetry constraints on B(i,j) reported incorrectly
;
_database_code_amcsd 146
_chemical_formula_sum 'Cu3 V S4'
_cell_length_a 5.3912
_cell_length_b 5.3912
_cell_length_c 5.3912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 156.695
_exptl_crystal_density_diffrn  3.919
_symmetry_space_group_name_H-M 'P -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  'x,-z,-y'
  'z,-y,-x'
  'y,-x,-z'
  'x,z,y'
  'z,y,x'
  'y,x,z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '-x,z,-y'
  '-z,y,-x'
  '-y,x,-z'
  '-x,-z,y'
  '-z,-y,x'
  '-y,-x,z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.5  0.0  0.0
V   0.0  0.0  0.0
S   0.2372  0.2372  0.2372
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu   0.01193  0.01796  0.01796  0.0  0.0  0.0
V   0.0053  0.0053  0.0053  0.0  0.0  0.0
S   0.01296  0.01296  0.01296  0.00265  0.00265  0.00265