The crystal structure described by KGd(FeO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Gd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one Gd(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Gd(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_KGd(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.177
_cell_length_c   7.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.250
_symmetry_Int_Tables_number   1
_cell_volume   197.654
_cell_formula_units_Z   1
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
  K  K0  1  0.011  0.989  0.500  1.0
  Gd  Gd1  1  0.486  0.514  0.000  1.0
  Fe  Fe2  1  0.501  0.002  0.261  1.0
  Fe  Fe3  1  0.501  0.002  0.739  1.0
  Fe  Fe4  1  0.998  0.499  0.739  1.0
  Fe  Fe5  1  0.998  0.499  0.261  1.0
  O  O6  1  0.232  0.232  0.234  1.0
  O  O7  1  0.768  0.768  0.234  1.0
  O  O8  1  0.768  0.768  0.766  1.0
  O  O9  1  0.232  0.232  0.766  1.0
  O  O10  1  0.294  0.706  0.263  1.0
  O  O11  1  0.707  0.293  0.204  1.0
  O  O12  1  0.707  0.293  0.796  1.0
  O  O13  1  0.294  0.706  0.737  1.0
  O  O14  1  0.472  0.952  0.000  1.0
  O  O15  1  0.522  0.034  0.500  1.0
  O  O16  1  0.048  0.528  0.000  1.0
  O  O17  1  0.966  0.478  0.500  1.0
[/CIF]
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The crystal structure described by KGd(FeO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Gd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one Gd(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1) and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Gd(1) and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_KGd(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.177
_cell_length_c   7.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.250
_symmetry_Int_Tables_number   1
_cell_volume   197.654
_cell_formula_units_Z   1
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
  K  K0  1  0.011  0.989  0.500  1.0
  Gd  Gd1  1  0.486  0.514  0.000  1.0
  Fe  Fe2  1  0.501  0.002  0.261  1.0
  Fe  Fe3  1  0.501  0.002  0.739  1.0
  Fe  Fe4  1  0.998  0.499  0.739  1.0
  Fe  Fe5  1  0.998  0.499  0.261  1.0
  O  O6  1  0.232  0.232  0.234  1.0
  O  O7  1  0.768  0.768  0.234  1.0
  O  O8  1  0.768  0.768  0.766  1.0
  O  O9  1  0.232  0.232  0.766  1.0
  O  O10  1  0.294  0.706  0.263  1.0
  O  O11  1  0.707  0.293  0.204  1.0
  O  O12  1  0.707  0.293  0.796  1.0
  O  O13  1  0.294  0.706  0.737  1.0
  O  O14  1  0.472  0.952  0.000  1.0
  O  O15  1  0.522  0.034  0.500  1.0
  O  O16  1  0.048  0.528  0.000  1.0
  O  O17  1  0.966  0.478  0.500  1.0
[/CIF]
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