The compound described by SrLaVFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 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 16-25°. In the second V site, V(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 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 13-22°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_SrLaVFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.562
_cell_length_c   5.561
_cell_angle_alpha   60.067
_cell_angle_beta   60.749
_cell_angle_gamma   90.202
_symmetry_Int_Tables_number   1
_cell_volume   122.229
_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  0.002  1.000  1.000  1.0
  La  La1  1  0.759  0.247  0.494  1.0
  O  O2  1  0.201  0.691  0.032  1.0
  O  O3  1  0.688  0.747  0.053  1.0
  O  O4  1  0.222  0.214  0.497  1.0
  O  O5  1  0.784  0.295  0.990  1.0
  O  O6  1  0.329  0.254  0.927  1.0
  O  O7  1  0.766  0.802  0.503  1.0
  Sr  Sr8  1  0.249  0.750  0.503  1.0
  V  V9  1  0.501  0.500  0.001  1.0
[/CIF]
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The compound described by SrLaVFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(10), two equivalent O(12), and two equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 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 16-25°. In the second V site, V(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form VO6 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 13-22°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-22°. In the second Fe site, Fe(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent V(1)O6 octahedra and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one V(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one V(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one V(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one V(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_SrLaVFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.562
_cell_length_c   5.561
_cell_angle_alpha   60.067
_cell_angle_beta   60.749
_cell_angle_gamma   90.202
_symmetry_Int_Tables_number   1
_cell_volume   122.229
_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  0.002  1.000  1.000  1.0
  La  La1  1  0.759  0.247  0.494  1.0
  O  O2  1  0.201  0.691  0.032  1.0
  O  O3  1  0.688  0.747  0.053  1.0
  O  O4  1  0.222  0.214  0.497  1.0
  O  O5  1  0.784  0.295  0.990  1.0
  O  O6  1  0.329  0.254  0.927  1.0
  O  O7  1  0.766  0.802  0.503  1.0
  Sr  Sr8  1  0.249  0.750  0.503  1.0
  V  V9  1  0.501  0.500  0.001  1.0
[/CIF]
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