The compound described by LaFe4(BiO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. La(1) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Fe(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(2), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Bi(3) atom. is represented by the CIF card [CIF]
data_LaFe4(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.921
_cell_length_b   5.535
_cell_length_c   5.688
_cell_angle_alpha   89.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.389
_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
  La  La0  1  0.500  0.989  0.042  1.0
  Fe  Fe1  1  0.248  0.997  0.502  1.0
  Fe  Fe2  1  0.751  0.502  0.999  1.0
  Fe  Fe3  1  0.752  0.997  0.502  1.0
  Fe  Fe4  1  0.249  0.502  0.999  1.0
  Bi  Bi5  1  0.000  0.490  0.455  1.0
  Bi  Bi6  1  0.000  0.012  0.956  1.0
  Bi  Bi7  1  0.500  0.512  0.545  1.0
  O  O8  1  0.202  0.196  0.200  1.0
  O  O9  1  0.800  0.299  0.703  1.0
  O  O10  1  0.704  0.797  0.794  1.0
  O  O11  1  0.302  0.701  0.297  1.0
  O  O12  1  0.296  0.797  0.794  1.0
  O  O13  1  0.698  0.701  0.297  1.0
  O  O14  1  0.798  0.196  0.200  1.0
  O  O15  1  0.200  0.299  0.703  1.0
  O  O16  1  0.000  0.599  0.033  1.0
  O  O17  1  0.000  0.899  0.526  1.0
  O  O18  1  0.500  0.415  0.978  1.0
  O  O19  1  0.500  0.098  0.475  1.0
[/CIF]
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The compound described by LaFe4(BiO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. La(1) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one Fe(1), one Fe(2), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Fe(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OFe2Bi2 tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(2), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Bi(3) atom. is represented by the CIF card [CIF]
data_LaFe4(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.921
_cell_length_b   5.535
_cell_length_c   5.688
_cell_angle_alpha   89.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   249.389
_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
  La  La0  1  0.500  0.989  0.042  1.0
  Fe  Fe1  1  0.248  0.997  0.502  1.0
  Fe  Fe2  1  0.751  0.502  0.999  1.0
  Fe  Fe3  1  0.752  0.997  0.502  1.0
  Fe  Fe4  1  0.249  0.502  0.999  1.0
  Bi  Bi5  1  0.000  0.490  0.455  1.0
  Bi  Bi6  1  0.000  0.012  0.956  1.0
  Bi  Bi7  1  0.500  0.512  0.545  1.0
  O  O8  1  0.202  0.196  0.200  1.0
  O  O9  1  0.800  0.299  0.703  1.0
  O  O10  1  0.704  0.797  0.794  1.0
  O  O11  1  0.302  0.701  0.297  1.0
  O  O12  1  0.296  0.797  0.794  1.0
  O  O13  1  0.698  0.701  0.297  1.0
  O  O14  1  0.798  0.196  0.200  1.0
  O  O15  1  0.200  0.299  0.703  1.0
  O  O16  1  0.000  0.599  0.033  1.0
  O  O17  1  0.000  0.899  0.526  1.0
  O  O18  1  0.500  0.415  0.978  1.0
  O  O19  1  0.500  0.098  0.475  1.0
[/CIF]
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