The material structure described by SrLa(FeO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(5), and one O(6) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. 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(6) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.527
_cell_length_c   5.550
_cell_angle_alpha   119.513
_cell_angle_beta   90.024
_cell_angle_gamma   119.174
_symmetry_Int_Tables_number   1
_cell_volume   121.406
_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
  Fe  Fe0  1  0.500  0.999  0.499  1.0
  Fe  Fe1  1  1.000  0.000  0.999  1.0
  La  La2  1  0.752  0.502  0.249  1.0
  O  O3  1  0.700  0.953  0.744  1.0
  O  O4  1  0.791  0.047  0.301  1.0
  O  O5  1  0.244  0.487  0.199  1.0
  O  O6  1  0.194  0.939  0.684  1.0
  O  O7  1  0.757  0.513  0.820  1.0
  O  O8  1  0.315  0.061  0.256  1.0
  Sr  Sr9  1  0.249  0.499  0.748  1.0
[/CIF]
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The material structure described by SrLa(FeO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 9-coordinate geometry to one O(4), one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(5), and one O(6) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. 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(6) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.527
_cell_length_c   5.550
_cell_angle_alpha   119.513
_cell_angle_beta   90.024
_cell_angle_gamma   119.174
_symmetry_Int_Tables_number   1
_cell_volume   121.406
_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
  Fe  Fe0  1  0.500  0.999  0.499  1.0
  Fe  Fe1  1  1.000  0.000  0.999  1.0
  La  La2  1  0.752  0.502  0.249  1.0
  O  O3  1  0.700  0.953  0.744  1.0
  O  O4  1  0.791  0.047  0.301  1.0
  O  O5  1  0.244  0.487  0.199  1.0
  O  O6  1  0.194  0.939  0.684  1.0
  O  O7  1  0.757  0.513  0.820  1.0
  O  O8  1  0.315  0.061  0.256  1.0
  Sr  Sr9  1  0.249  0.499  0.748  1.0
[/CIF]
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