The material described by SrLaTiMnO6 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(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. In the second Sr site, Sr(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(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(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(10), two equivalent O(12), and two equivalent O(8) atoms. In the second La site, La(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(11), two equivalent O(7), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) 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 TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. In the second Ti site, Ti(2) 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 TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. In the second Mn site, Mn(2) 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 MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one Ti(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one Ti(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(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 La(2), one Ti(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_SrLaTiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   9.668
_cell_length_c   5.590
_cell_angle_alpha   72.165
_cell_angle_beta   59.742
_cell_angle_gamma   72.950
_symmetry_Int_Tables_number   1
_cell_volume   248.971
_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
  Sr  Sr0  1  0.868  0.374  0.876  1.0
  Sr  Sr1  1  0.386  0.875  0.375  1.0
  La  La2  1  0.634  0.121  0.626  1.0
  La  La3  1  0.114  0.619  0.128  1.0
  Ti  Ti4  1  0.488  0.498  0.507  1.0
  Ti  Ti5  1  0.013  0.998  0.996  1.0
  Mn  Mn6  1  0.251  0.250  0.251  1.0
  Mn  Mn7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.962  0.871  0.839  1.0
  O  O9  1  0.401  0.385  0.315  1.0
  O  O10  1  0.404  0.887  0.913  1.0
  O  O11  1  0.834  0.378  0.435  1.0
  O  O12  1  0.840  0.878  0.377  1.0
  O  O13  1  0.311  0.372  0.875  1.0
  O  O14  1  0.097  0.619  0.569  1.0
  O  O15  1  0.668  0.124  0.041  1.0
  O  O16  1  0.672  0.627  0.127  1.0
  O  O17  1  0.206  0.128  0.622  1.0
  O  O18  1  0.523  0.626  0.684  1.0
  O  O19  1  0.079  0.121  0.197  1.0
[/CIF]
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The material described by SrLaTiMnO6 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(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. In the second Sr site, Sr(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(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent La sites. In the first La site, La(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(10), two equivalent O(12), and two equivalent O(8) atoms. In the second La site, La(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(11), two equivalent O(7), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) 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 TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. In the second Ti site, Ti(2) 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 TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) 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 MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. In the second Mn site, Mn(2) 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 MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-25°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one Ti(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one La(1), one La(2), one Ti(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(2), one La(1), one La(2), one Ti(2), and one Mn(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 La(2), one Ti(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(2), one Ti(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), two equivalent La(1), one Ti(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_SrLaTiMnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   9.668
_cell_length_c   5.590
_cell_angle_alpha   72.165
_cell_angle_beta   59.742
_cell_angle_gamma   72.950
_symmetry_Int_Tables_number   1
_cell_volume   248.971
_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
  Sr  Sr0  1  0.868  0.374  0.876  1.0
  Sr  Sr1  1  0.386  0.875  0.375  1.0
  La  La2  1  0.634  0.121  0.626  1.0
  La  La3  1  0.114  0.619  0.128  1.0
  Ti  Ti4  1  0.488  0.498  0.507  1.0
  Ti  Ti5  1  0.013  0.998  0.996  1.0
  Mn  Mn6  1  0.251  0.250  0.251  1.0
  Mn  Mn7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.962  0.871  0.839  1.0
  O  O9  1  0.401  0.385  0.315  1.0
  O  O10  1  0.404  0.887  0.913  1.0
  O  O11  1  0.834  0.378  0.435  1.0
  O  O12  1  0.840  0.878  0.377  1.0
  O  O13  1  0.311  0.372  0.875  1.0
  O  O14  1  0.097  0.619  0.569  1.0
  O  O15  1  0.668  0.124  0.041  1.0
  O  O16  1  0.672  0.627  0.127  1.0
  O  O17  1  0.206  0.128  0.622  1.0
  O  O18  1  0.523  0.626  0.684  1.0
  O  O19  1  0.079  0.121  0.197  1.0
[/CIF]
.