The compound described by SmLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, 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 corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. In the second Cr site, Cr(2) 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 corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sm(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_La3SmCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   5.544
_cell_length_c   5.589
_cell_angle_alpha   89.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.525
_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
  La  La0  1  0.000  0.007  0.964  1.0
  La  La1  1  0.500  0.507  0.533  1.0
  La  La2  1  0.500  0.992  0.036  1.0
  Sm  Sm3  1  0.000  0.489  0.452  1.0
  Cr  Cr4  1  0.248  0.999  0.501  1.0
  Cr  Cr5  1  0.752  0.501  0.999  1.0
  Cr  Cr6  1  0.752  0.999  0.501  1.0
  Cr  Cr7  1  0.248  0.501  0.999  1.0
  O  O8  1  0.000  0.580  0.028  1.0
  O  O9  1  0.000  0.905  0.517  1.0
  O  O10  1  0.500  0.419  0.982  1.0
  O  O11  1  0.500  0.079  0.484  1.0
  O  O12  1  0.203  0.215  0.215  1.0
  O  O13  1  0.799  0.294  0.706  1.0
  O  O14  1  0.708  0.792  0.791  1.0
  O  O15  1  0.290  0.710  0.290  1.0
  O  O16  1  0.292  0.792  0.791  1.0
  O  O17  1  0.710  0.710  0.290  1.0
  O  O18  1  0.797  0.215  0.215  1.0
  O  O19  1  0.201  0.294  0.706  1.0
[/CIF]
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The compound described by SmLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, 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 corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-30°. In the second Cr site, Cr(2) 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 corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(2), one La(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sm(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_La3SmCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   5.544
_cell_length_c   5.589
_cell_angle_alpha   89.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.525
_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
  La  La0  1  0.000  0.007  0.964  1.0
  La  La1  1  0.500  0.507  0.533  1.0
  La  La2  1  0.500  0.992  0.036  1.0
  Sm  Sm3  1  0.000  0.489  0.452  1.0
  Cr  Cr4  1  0.248  0.999  0.501  1.0
  Cr  Cr5  1  0.752  0.501  0.999  1.0
  Cr  Cr6  1  0.752  0.999  0.501  1.0
  Cr  Cr7  1  0.248  0.501  0.999  1.0
  O  O8  1  0.000  0.580  0.028  1.0
  O  O9  1  0.000  0.905  0.517  1.0
  O  O10  1  0.500  0.419  0.982  1.0
  O  O11  1  0.500  0.079  0.484  1.0
  O  O12  1  0.203  0.215  0.215  1.0
  O  O13  1  0.799  0.294  0.706  1.0
  O  O14  1  0.708  0.792  0.791  1.0
  O  O15  1  0.290  0.710  0.290  1.0
  O  O16  1  0.292  0.792  0.791  1.0
  O  O17  1  0.710  0.710  0.290  1.0
  O  O18  1  0.797  0.215  0.215  1.0
  O  O19  1  0.201  0.294  0.706  1.0
[/CIF]
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