data_global
_chemical_name_mineral 'Ferroselite'
loop_
_publ_author_name
'Pickardt J'
'Reuter B'
'Riedel E'
'Sochtig J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 15 
_journal_year 1975
_journal_page_first 366
_journal_page_last 368
_publ_section_title
;
 On the formation of FeSe2 single crystals by chemical transport reactions
;
_database_code_amcsd 0013331
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe Se2'
_cell_length_a 4.804
_cell_length_b 5.784
_cell_length_c 3.586
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 99.642
_exptl_crystal_density_diffrn      7.125
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.00000   0.00000   0.00000
Se   0.21340   0.36900   0.00000
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
Fe 0.00728 0.00523 0.01202 0.00004 0.00000 0.00000
Se 0.00783 0.00675 0.01272 -0.00052 0.00000 0.00000