The crystal structure described by MoFeAs2 crystallizes in the orthorhombic Pmc2_1 space group. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1), two equivalent As(1), and four equivalent As(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent As(2), and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1), four equivalent Fe(1), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to four equivalent Mo(1), two equivalent Fe(1), and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_FeMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.361
_cell_length_b   5.812
_cell_length_c   6.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.701
_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  0.250  0.509  0.312  1.0
  Fe  Fe1  1  0.250  0.009  0.188  1.0
  Mo  Mo2  1  0.750  0.496  0.691  1.0
  Mo  Mo3  1  0.750  0.996  0.809  1.0
  As  As4  1  0.750  0.306  0.086  1.0
  As  As5  1  0.750  0.806  0.414  1.0
  As  As6  1  0.250  0.690  0.945  1.0
  As  As7  1  0.250  0.190  0.555  1.0
[/CIF]
.
The crystal structure described by MoFeAs2 crystallizes in the orthorhombic Pmc2_1 space group. Mo(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1), two equivalent As(1), and four equivalent As(2) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent As(2), and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1), four equivalent Fe(1), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to four equivalent Mo(1), two equivalent Fe(1), and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_FeMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.361
_cell_length_b   5.812
_cell_length_c   6.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.701
_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  0.250  0.509  0.312  1.0
  Fe  Fe1  1  0.250  0.009  0.188  1.0
  Mo  Mo2  1  0.750  0.496  0.691  1.0
  Mo  Mo3  1  0.750  0.996  0.809  1.0
  As  As4  1  0.750  0.306  0.086  1.0
  As  As5  1  0.750  0.806  0.414  1.0
  As  As6  1  0.250  0.690  0.945  1.0
  As  As7  1  0.250  0.190  0.555  1.0
[/CIF]
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