The material structure described by FeSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted edge, face, and corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. Se(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   5.284
_cell_length_c   6.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.569
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.750  0.485  0.288  1.0
  Fe  Fe1  1  0.750  0.985  0.212  1.0
  Fe  Fe2  1  0.250  0.515  0.712  1.0
  Fe  Fe3  1  0.250  0.015  0.788  1.0
  Se  Se4  1  0.750  0.280  0.913  1.0
  Se  Se5  1  0.750  0.780  0.587  1.0
  Se  Se6  1  0.250  0.720  0.087  1.0
  Se  Se7  1  0.250  0.220  0.413  1.0
[/CIF]
.
The material structure described by FeSe is Modderite structured and crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to six equivalent Se(1) atoms to form a mixture of distorted edge, face, and corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. Se(1) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   5.284
_cell_length_c   6.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.569
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.750  0.485  0.288  1.0
  Fe  Fe1  1  0.750  0.985  0.212  1.0
  Fe  Fe2  1  0.250  0.515  0.712  1.0
  Fe  Fe3  1  0.250  0.015  0.788  1.0
  Se  Se4  1  0.750  0.280  0.913  1.0
  Se  Se5  1  0.750  0.780  0.587  1.0
  Se  Se6  1  0.250  0.720  0.087  1.0
  Se  Se7  1  0.250  0.220  0.413  1.0
[/CIF]
.