The structure described by SrLaFeSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. 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 FeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Sn(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 SnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaFeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.743
_cell_length_c   8.064
_cell_angle_alpha   89.995
_cell_angle_beta   89.846
_cell_angle_gamma   89.961
_symmetry_Int_Tables_number   1
_cell_volume   263.498
_cell_formula_units_Z   2
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  0.999  0.498  0.000  1.0
  Fe  Fe1  1  0.499  0.002  0.500  1.0
  La  La2  1  0.988  0.958  0.250  1.0
  La  La3  1  0.488  0.542  0.750  1.0
  O  O4  1  0.410  0.016  0.253  1.0
  O  O5  1  0.910  0.484  0.753  1.0
  O  O6  1  0.070  0.525  0.247  1.0
  O  O7  1  0.570  0.975  0.747  1.0
  O  O8  1  0.795  0.211  0.046  1.0
  O  O9  1  0.295  0.289  0.545  1.0
  O  O10  1  0.719  0.724  0.459  1.0
  O  O11  1  0.219  0.776  0.959  1.0
  O  O12  1  0.225  0.780  0.541  1.0
  O  O13  1  0.725  0.720  0.041  1.0
  O  O14  1  0.289  0.295  0.955  1.0
  O  O15  1  0.789  0.205  0.455  1.0
  Sn  Sn16  1  0.999  0.496  0.500  1.0
  Sn  Sn17  1  0.499  0.004  0.000  1.0
  Sr  Sr18  1  0.506  0.472  0.250  1.0
  Sr  Sr19  1  0.006  0.028  0.750  1.0
[/CIF]
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The structure described by SrLaFeSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. 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 FeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Sn(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 SnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent La(1), one Fe(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Fe(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaFeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.690
_cell_length_b   5.743
_cell_length_c   8.064
_cell_angle_alpha   89.995
_cell_angle_beta   89.846
_cell_angle_gamma   89.961
_symmetry_Int_Tables_number   1
_cell_volume   263.498
_cell_formula_units_Z   2
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  0.999  0.498  0.000  1.0
  Fe  Fe1  1  0.499  0.002  0.500  1.0
  La  La2  1  0.988  0.958  0.250  1.0
  La  La3  1  0.488  0.542  0.750  1.0
  O  O4  1  0.410  0.016  0.253  1.0
  O  O5  1  0.910  0.484  0.753  1.0
  O  O6  1  0.070  0.525  0.247  1.0
  O  O7  1  0.570  0.975  0.747  1.0
  O  O8  1  0.795  0.211  0.046  1.0
  O  O9  1  0.295  0.289  0.545  1.0
  O  O10  1  0.719  0.724  0.459  1.0
  O  O11  1  0.219  0.776  0.959  1.0
  O  O12  1  0.225  0.780  0.541  1.0
  O  O13  1  0.725  0.720  0.041  1.0
  O  O14  1  0.289  0.295  0.955  1.0
  O  O15  1  0.789  0.205  0.455  1.0
  Sn  Sn16  1  0.999  0.496  0.500  1.0
  Sn  Sn17  1  0.499  0.004  0.000  1.0
  Sr  Sr18  1  0.506  0.472  0.250  1.0
  Sr  Sr19  1  0.006  0.028  0.750  1.0
[/CIF]
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