The crystal structure described by La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. Mn(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Mn(1), and two equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_La2MnFeSe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.181
_cell_length_b   9.984
_cell_length_c   4.116
_cell_angle_alpha   78.102
_cell_angle_beta   89.997
_cell_angle_gamma   77.906
_symmetry_Int_Tables_number   1
_cell_volume   164.223
_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  0.687  0.626  0.687  1.0
  La  La1  1  0.313  0.374  0.313  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Se  Se4  1  0.099  0.801  0.099  1.0
  Se  Se5  1  0.901  0.199  0.901  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.750  0.500  0.250  1.0
  O  O8  1  0.250  0.500  0.750  1.0
[/CIF]
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The crystal structure described by La2MnFeSe2O3 crystallizes in the orthorhombic Immm space group. La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. Mn(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1), two equivalent Mn(1), and two equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_La2MnFeSe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.181
_cell_length_b   9.984
_cell_length_c   4.116
_cell_angle_alpha   78.102
_cell_angle_beta   89.997
_cell_angle_gamma   77.906
_symmetry_Int_Tables_number   1
_cell_volume   164.223
_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  0.687  0.626  0.687  1.0
  La  La1  1  0.313  0.374  0.313  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Se  Se4  1  0.099  0.801  0.099  1.0
  Se  Se5  1  0.901  0.199  0.901  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.750  0.500  0.250  1.0
  O  O8  1  0.250  0.500  0.750  1.0
[/CIF]
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