The material described by SrLa3Cr2Mn2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Cr(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. Mn(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are eight 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(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(3), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(2), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one La(3), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one La(2), one La(3), one Cr(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 La(1), one La(3), one Cr(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one La(1), one La(2), one Cr(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa3Mn2Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.986
_cell_length_c   5.541
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.961
_symmetry_Int_Tables_number   1
_cell_volume   241.912
_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
  Sr  Sr0  1  1.000  0.750  0.495  1.0
  La  La1  1  0.500  0.250  0.004  1.0
  La  La2  1  0.500  0.750  0.998  1.0
  La  La3  1  1.000  0.250  0.502  1.0
  Mn  Mn4  1  0.000  0.501  0.000  1.0
  Mn  Mn5  1  1.000  0.999  0.000  1.0
  Cr  Cr6  1  0.500  0.999  0.500  1.0
  Cr  Cr7  1  0.500  0.501  0.500  1.0
  O  O8  1  1.000  0.750  0.950  1.0
  O  O9  1  0.500  0.250  0.442  1.0
  O  O10  1  0.000  0.250  0.062  1.0
  O  O11  1  0.500  0.750  0.565  1.0
  O  O12  1  0.277  0.467  0.785  1.0
  O  O13  1  0.723  0.033  0.785  1.0
  O  O14  1  0.780  0.977  0.272  1.0
  O  O15  1  0.220  0.523  0.272  1.0
  O  O16  1  0.782  0.462  0.726  1.0
  O  O17  1  0.218  0.038  0.726  1.0
  O  O18  1  0.284  0.975  0.208  1.0
  O  O19  1  0.716  0.525  0.208  1.0
[/CIF]
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The material described by SrLa3Cr2Mn2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Cr(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. Mn(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are eight 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(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(3), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(2), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one La(3), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one La(2), one La(3), one Cr(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 La(1), one La(3), one Cr(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one La(1), one La(2), one Cr(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa3Mn2Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   7.986
_cell_length_c   5.541
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.961
_symmetry_Int_Tables_number   1
_cell_volume   241.912
_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
  Sr  Sr0  1  1.000  0.750  0.495  1.0
  La  La1  1  0.500  0.250  0.004  1.0
  La  La2  1  0.500  0.750  0.998  1.0
  La  La3  1  1.000  0.250  0.502  1.0
  Mn  Mn4  1  0.000  0.501  0.000  1.0
  Mn  Mn5  1  1.000  0.999  0.000  1.0
  Cr  Cr6  1  0.500  0.999  0.500  1.0
  Cr  Cr7  1  0.500  0.501  0.500  1.0
  O  O8  1  1.000  0.750  0.950  1.0
  O  O9  1  0.500  0.250  0.442  1.0
  O  O10  1  0.000  0.250  0.062  1.0
  O  O11  1  0.500  0.750  0.565  1.0
  O  O12  1  0.277  0.467  0.785  1.0
  O  O13  1  0.723  0.033  0.785  1.0
  O  O14  1  0.780  0.977  0.272  1.0
  O  O15  1  0.220  0.523  0.272  1.0
  O  O16  1  0.782  0.462  0.726  1.0
  O  O17  1  0.218  0.038  0.726  1.0
  O  O18  1  0.284  0.975  0.208  1.0
  O  O19  1  0.716  0.525  0.208  1.0
[/CIF]
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