The compound described by LaMnFe3(BiO4)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Fe(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one La(1), one Fe(2), one Fe(3), and one Bi(1) atom to form distorted OLaFe2Bi trigonal pyramids that share corners with two equivalent O(7)Fe2Bi2 trigonal pyramids and edges with two equivalent O(5)LaFe2Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 trigonal pyramids that share corners with two equivalent O(5)LaFe2Bi trigonal pyramids and edges with two equivalent O(7)Fe2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), one Mn(1), one Fe(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LaMnFe3(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   5.671
_cell_length_c   9.795
_cell_angle_alpha   71.927
_cell_angle_beta   71.927
_cell_angle_gamma   58.561
_symmetry_Int_Tables_number   1
_cell_volume   251.231
_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  0.373  0.373  0.379  1.0
  Mn  Mn1  1  0.749  0.749  0.249  1.0
  Fe  Fe2  1  0.498  0.498  0.999  1.0
  Fe  Fe3  1  0.003  0.003  0.501  1.0
  Fe  Fe4  1  0.250  0.250  0.750  1.0
  Bi  Bi5  1  0.644  0.644  0.611  1.0
  Bi  Bi6  1  0.138  0.138  0.111  1.0
  Bi  Bi7  1  0.859  0.859  0.884  1.0
  O  O8  1  0.079  0.079  0.671  1.0
  O  O9  1  0.567  0.567  0.169  1.0
  O  O10  1  0.423  0.423  0.830  1.0
  O  O11  1  0.933  0.933  0.330  1.0
  O  O12  1  0.090  0.599  0.600  1.0
  O  O13  1  0.592  0.090  0.100  1.0
  O  O14  1  0.903  0.405  0.905  1.0
  O  O15  1  0.412  0.895  0.403  1.0
  O  O16  1  0.599  0.090  0.600  1.0
  O  O17  1  0.090  0.592  0.100  1.0
  O  O18  1  0.405  0.903  0.905  1.0
  O  O19  1  0.895  0.412  0.403  1.0
[/CIF]
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The compound described by LaMnFe3(BiO4)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Fe(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one La(1), one Fe(2), one Fe(3), and one Bi(1) atom to form distorted OLaFe2Bi trigonal pyramids that share corners with two equivalent O(7)Fe2Bi2 trigonal pyramids and edges with two equivalent O(5)LaFe2Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 trigonal pyramids that share corners with two equivalent O(5)LaFe2Bi trigonal pyramids and edges with two equivalent O(7)Fe2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), one Mn(1), one Fe(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_LaMnFe3(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   5.671
_cell_length_c   9.795
_cell_angle_alpha   71.927
_cell_angle_beta   71.927
_cell_angle_gamma   58.561
_symmetry_Int_Tables_number   1
_cell_volume   251.231
_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  0.373  0.373  0.379  1.0
  Mn  Mn1  1  0.749  0.749  0.249  1.0
  Fe  Fe2  1  0.498  0.498  0.999  1.0
  Fe  Fe3  1  0.003  0.003  0.501  1.0
  Fe  Fe4  1  0.250  0.250  0.750  1.0
  Bi  Bi5  1  0.644  0.644  0.611  1.0
  Bi  Bi6  1  0.138  0.138  0.111  1.0
  Bi  Bi7  1  0.859  0.859  0.884  1.0
  O  O8  1  0.079  0.079  0.671  1.0
  O  O9  1  0.567  0.567  0.169  1.0
  O  O10  1  0.423  0.423  0.830  1.0
  O  O11  1  0.933  0.933  0.330  1.0
  O  O12  1  0.090  0.599  0.600  1.0
  O  O13  1  0.592  0.090  0.100  1.0
  O  O14  1  0.903  0.405  0.905  1.0
  O  O15  1  0.412  0.895  0.403  1.0
  O  O16  1  0.599  0.090  0.600  1.0
  O  O17  1  0.090  0.592  0.100  1.0
  O  O18  1  0.405  0.903  0.905  1.0
  O  O19  1  0.895  0.412  0.403  1.0
[/CIF]
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