The compound described by GdFe4(BiO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), two equivalent Fe(2), and one Bi(1) atom to form distorted corner-sharing OGdFe2Bi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(2), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 tetrahedra that share corners with two equivalent O(4)Fe2Bi2 tetrahedra and corners with two equivalent O(1)GdFe2Bi tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Fe(1), one Bi(2), and one Bi(3) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), one Bi(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(3) atom. is represented by the CIF file [CIF]
data_GdFe4(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.863
_cell_length_b   5.480
_cell_length_c   5.710
_cell_angle_alpha   89.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.065
_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
  Gd  Gd0  1  0.500  0.488  0.559  1.0
  Fe  Fe1  1  0.252  1.000  0.500  1.0
  Fe  Fe2  1  0.749  0.499  0.002  1.0
  Fe  Fe3  1  0.748  1.000  0.500  1.0
  Fe  Fe4  1  0.251  0.499  0.002  1.0
  Bi  Bi5  1  0.500  0.010  0.052  1.0
  Bi  Bi6  1  0.000  0.506  0.451  1.0
  Bi  Bi7  1  0.000  0.987  0.950  1.0
  O  O8  1  0.500  0.599  0.962  1.0
  O  O9  1  0.500  0.897  0.473  1.0
  O  O10  1  0.000  0.400  0.031  1.0
  O  O11  1  0.000  0.096  0.528  1.0
  O  O12  1  0.795  0.693  0.695  1.0
  O  O13  1  0.203  0.808  0.196  1.0
  O  O14  1  0.302  0.309  0.307  1.0
  O  O15  1  0.696  0.200  0.796  1.0
  O  O16  1  0.698  0.309  0.307  1.0
  O  O17  1  0.304  0.200  0.796  1.0
  O  O18  1  0.205  0.693  0.695  1.0
  O  O19  1  0.797  0.808  0.196  1.0
[/CIF]
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The compound described by GdFe4(BiO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 31-34°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Gd(1), two equivalent Fe(2), and one Bi(1) atom to form distorted corner-sharing OGdFe2Bi tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(2), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 tetrahedra that share corners with two equivalent O(4)Fe2Bi2 tetrahedra and corners with two equivalent O(1)GdFe2Bi tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Fe(1), one Bi(2), and one Bi(3) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Fe(1), one Fe(2), one Bi(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(3) atom. is represented by the CIF file [CIF]
data_GdFe4(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.863
_cell_length_b   5.480
_cell_length_c   5.710
_cell_angle_alpha   89.834
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.065
_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
  Gd  Gd0  1  0.500  0.488  0.559  1.0
  Fe  Fe1  1  0.252  1.000  0.500  1.0
  Fe  Fe2  1  0.749  0.499  0.002  1.0
  Fe  Fe3  1  0.748  1.000  0.500  1.0
  Fe  Fe4  1  0.251  0.499  0.002  1.0
  Bi  Bi5  1  0.500  0.010  0.052  1.0
  Bi  Bi6  1  0.000  0.506  0.451  1.0
  Bi  Bi7  1  0.000  0.987  0.950  1.0
  O  O8  1  0.500  0.599  0.962  1.0
  O  O9  1  0.500  0.897  0.473  1.0
  O  O10  1  0.000  0.400  0.031  1.0
  O  O11  1  0.000  0.096  0.528  1.0
  O  O12  1  0.795  0.693  0.695  1.0
  O  O13  1  0.203  0.808  0.196  1.0
  O  O14  1  0.302  0.309  0.307  1.0
  O  O15  1  0.696  0.200  0.796  1.0
  O  O16  1  0.698  0.309  0.307  1.0
  O  O17  1  0.304  0.200  0.796  1.0
  O  O18  1  0.205  0.693  0.695  1.0
  O  O19  1  0.797  0.808  0.196  1.0
[/CIF]
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