data_global
_amcsd_formula_title 'Co3Se4'
loop_
_publ_author_name
'Garcia-Garcia F J'
'Larsson A K'
'Noren L'
'Withers R L'
_journal_name_full 'Solid State Sciences'
_journal_volume 6 
_journal_year 2004
_journal_page_first 725
_journal_page_last 733
_publ_section_title
;
 The crystal structures of Co3Se4 and Co7Se8
 Note: single crystal
;
_database_code_amcsd 0015522
_chemical_formula_sum 'Co3 Se4'
_cell_length_a 12.100
_cell_length_b 3.570
_cell_length_c 6.183
_cell_angle_alpha 90
_cell_angle_beta 120.73
_cell_angle_gamma 90
_cell_volume 229.584
_exptl_crystal_density_diffrn      7.126
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Co1   0.00000   0.50000   0.50000
Co2   0.76065   0.00000   0.78070
Se1   0.62013   0.00000   0.95550
Se2   0.13384   0.00000   0.47400
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
Co1 0.01200 0.00870 0.00390 0.00000 0.00130 0.00000
Co2 0.01300 0.00930 0.00390 0.00000 0.00220 0.00000
Se1 0.01600 0.00520 0.00570 0.00000 0.00390 0.00000
Se2 0.01490 0.00570 0.00690 0.00000 0.00570 0.00000