The compound described by VFeAs2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. V(1) is bonded in a 6-coordinate geometry to two equivalent As(2) and four equivalent As(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent V(1) and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent V(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.350
_cell_length_b   5.598
_cell_length_c   6.192
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.127
_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
  V  V0  1  0.250  0.503  0.299  1.0
  V  V1  1  0.250  0.003  0.201  1.0
  Fe  Fe2  1  0.750  0.493  0.688  1.0
  Fe  Fe3  1  0.750  0.993  0.812  1.0
  As  As4  1  0.750  0.307  0.063  1.0
  As  As5  1  0.750  0.807  0.437  1.0
  As  As6  1  0.250  0.697  0.914  1.0
  As  As7  1  0.250  0.197  0.586  1.0
[/CIF]
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The compound described by VFeAs2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. V(1) is bonded in a 6-coordinate geometry to two equivalent As(2) and four equivalent As(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent As(1) and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent V(1) and two equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent V(1) and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.350
_cell_length_b   5.598
_cell_length_c   6.192
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.127
_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
  V  V0  1  0.250  0.503  0.299  1.0
  V  V1  1  0.250  0.003  0.201  1.0
  Fe  Fe2  1  0.750  0.493  0.688  1.0
  Fe  Fe3  1  0.750  0.993  0.812  1.0
  As  As4  1  0.750  0.307  0.063  1.0
  As  As5  1  0.750  0.807  0.437  1.0
  As  As6  1  0.250  0.697  0.914  1.0
  As  As7  1  0.250  0.197  0.586  1.0
[/CIF]
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