The material described by Sm3LaCr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OLaSmCr2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(2) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted OSm2Cr2 tetrahedra that share corners with two equivalent O(6)LaSmCr2 tetrahedra and corners with two equivalent O(7)Sm2Cr2 tetrahedra. is represented by the CIF file [CIF]
data_LaSm3Cr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.792
_cell_length_b   5.460
_cell_length_c   5.611
_cell_angle_alpha   89.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.680
_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  0.500  0.490  0.544  1.0
  Sm  Sm1  1  0.500  0.015  0.054  1.0
  Sm  Sm2  1  0.000  0.515  0.443  1.0
  Sm  Sm3  1  0.000  0.987  0.946  1.0
  Cr  Cr4  1  0.247  0.001  0.501  1.0
  Cr  Cr5  1  0.752  0.499  0.998  1.0
  Cr  Cr6  1  0.753  0.001  0.501  1.0
  Cr  Cr7  1  0.248  0.499  0.998  1.0
  O  O8  1  0.297  0.199  0.799  1.0
  O  O9  1  0.705  0.292  0.291  1.0
  O  O10  1  0.803  0.794  0.207  1.0
  O  O11  1  0.196  0.704  0.705  1.0
  O  O12  1  0.197  0.794  0.207  1.0
  O  O13  1  0.804  0.704  0.705  1.0
  O  O14  1  0.703  0.199  0.799  1.0
  O  O15  1  0.295  0.292  0.291  1.0
  O  O16  1  0.500  0.597  0.980  1.0
  O  O17  1  0.500  0.918  0.471  1.0
  O  O18  1  0.000  0.403  0.029  1.0
  O  O19  1  0.000  0.099  0.531  1.0
[/CIF]
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The material described by Sm3LaCr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OLaSmCr2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(2) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted OSm2Cr2 tetrahedra that share corners with two equivalent O(6)LaSmCr2 tetrahedra and corners with two equivalent O(7)Sm2Cr2 tetrahedra. is represented by the CIF file [CIF]
data_LaSm3Cr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.792
_cell_length_b   5.460
_cell_length_c   5.611
_cell_angle_alpha   89.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.680
_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  0.500  0.490  0.544  1.0
  Sm  Sm1  1  0.500  0.015  0.054  1.0
  Sm  Sm2  1  0.000  0.515  0.443  1.0
  Sm  Sm3  1  0.000  0.987  0.946  1.0
  Cr  Cr4  1  0.247  0.001  0.501  1.0
  Cr  Cr5  1  0.752  0.499  0.998  1.0
  Cr  Cr6  1  0.753  0.001  0.501  1.0
  Cr  Cr7  1  0.248  0.499  0.998  1.0
  O  O8  1  0.297  0.199  0.799  1.0
  O  O9  1  0.705  0.292  0.291  1.0
  O  O10  1  0.803  0.794  0.207  1.0
  O  O11  1  0.196  0.704  0.705  1.0
  O  O12  1  0.197  0.794  0.207  1.0
  O  O13  1  0.804  0.704  0.705  1.0
  O  O14  1  0.703  0.199  0.799  1.0
  O  O15  1  0.295  0.292  0.291  1.0
  O  O16  1  0.500  0.597  0.980  1.0
  O  O17  1  0.500  0.918  0.471  1.0
  O  O18  1  0.000  0.403  0.029  1.0
  O  O19  1  0.000  0.099  0.531  1.0
[/CIF]
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