The material structure described by FeRhAs crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Rh(1), four equivalent Rh(2), one As(2), and four equivalent As(1) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Rh(1), four equivalent Rh(2), one As(2), and four equivalent As(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent As(1), and two equivalent As(2) atoms. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Rh(1), and two equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Rh(1), and four equivalent Rh(2) atoms. is represented by the CIF card [CIF]
data_FeAsRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   6.349
_cell_length_c   6.349
_cell_angle_alpha   60.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.071
_cell_formula_units_Z   3
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  0.500  0.604  0.396  1.0
  Fe  Fe1  1  0.500  0.396  0.001  1.0
  Fe  Fe2  1  0.500  0.999  0.604  1.0
  As  As3  1  0.000  0.334  0.333  1.0
  As  As4  1  0.000  0.667  0.666  1.0
  As  As5  1  0.500  1.000  0.000  1.0
  Rh  Rh6  1  0.000  0.263  0.737  1.0
  Rh  Rh7  1  0.000  0.736  1.000  1.0
  Rh  Rh8  1  0.000  0.000  0.264  1.0
[/CIF]
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The material structure described by FeRhAs crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Rh(1), four equivalent Rh(2), one As(2), and four equivalent As(1) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Rh(1), four equivalent Rh(2), one As(2), and four equivalent As(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent As(1), and two equivalent As(2) atoms. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), one Rh(1), and two equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Rh(1), and four equivalent Rh(2) atoms. is represented by the CIF card [CIF]
data_FeAsRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   6.349
_cell_length_c   6.349
_cell_angle_alpha   60.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.071
_cell_formula_units_Z   3
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  0.500  0.604  0.396  1.0
  Fe  Fe1  1  0.500  0.396  0.001  1.0
  Fe  Fe2  1  0.500  0.999  0.604  1.0
  As  As3  1  0.000  0.334  0.333  1.0
  As  As4  1  0.000  0.667  0.666  1.0
  As  As5  1  0.500  1.000  0.000  1.0
  Rh  Rh6  1  0.000  0.263  0.737  1.0
  Rh  Rh7  1  0.000  0.736  1.000  1.0
  Rh  Rh8  1  0.000  0.000  0.264  1.0
[/CIF]
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