The structure described by FeAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to six equivalent As(1) atoms to form a mixture of corner and edge-sharing FeAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. As(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.874
_cell_length_b   5.246
_cell_length_c   5.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.860
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  As  As2  1  0.000  0.179  0.363  1.0
  As  As3  1  0.000  0.821  0.637  1.0
  As  As4  1  0.500  0.679  0.137  1.0
  As  As5  1  0.500  0.321  0.863  1.0
[/CIF]
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The structure described by FeAs2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to six equivalent As(1) atoms to form a mixture of corner and edge-sharing FeAs6 octahedra. The corner-sharing octahedral tilt angles are 53°. As(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_FeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.874
_cell_length_b   5.246
_cell_length_c   5.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   89.860
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  As  As2  1  0.000  0.179  0.363  1.0
  As  As3  1  0.000  0.821  0.637  1.0
  As  As4  1  0.500  0.679  0.137  1.0
  As  As5  1  0.500  0.321  0.863  1.0
[/CIF]
.