The compound described by Sr2La2MoCr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and six equivalent O(4) atoms. La(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), 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 three equivalent Sr(1), one Mo(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one La(1), one Mo(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Sr2La2Cr3MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   9.680
_cell_length_c   5.583
_cell_angle_alpha   74.259
_cell_angle_beta   60.337
_cell_angle_gamma   74.259
_symmetry_Int_Tables_number   1
_cell_volume   248.964
_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  0.629  0.613  0.629  1.0
  Sr  Sr1  1  0.871  0.887  0.871  1.0
  La  La2  1  0.129  0.130  0.129  1.0
  La  La3  1  0.371  0.370  0.371  1.0
  Cr  Cr4  1  0.750  0.250  0.750  1.0
  Cr  Cr5  1  0.002  0.497  0.002  1.0
  Cr  Cr6  1  0.498  0.003  0.498  1.0
  Mo  Mo7  1  0.250  0.750  0.250  1.0
  O  O8  1  0.587  0.163  0.587  1.0
  O  O9  1  0.913  0.337  0.913  1.0
  O  O10  1  0.097  0.660  0.097  1.0
  O  O11  1  0.403  0.840  0.403  1.0
  O  O12  1  0.110  0.111  0.594  1.0
  O  O13  1  0.906  0.389  0.390  1.0
  O  O14  1  0.390  0.389  0.906  1.0
  O  O15  1  0.594  0.111  0.110  1.0
  O  O16  1  0.605  0.601  0.116  1.0
  O  O17  1  0.384  0.899  0.895  1.0
  O  O18  1  0.895  0.899  0.384  1.0
  O  O19  1  0.116  0.601  0.605  1.0
[/CIF]
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The compound described by Sr2La2MoCr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 12-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and six equivalent O(4) atoms. La(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. Mo(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MoO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), 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 three equivalent Sr(1), one Mo(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one La(1), one Mo(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_Sr2La2Cr3MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   9.680
_cell_length_c   5.583
_cell_angle_alpha   74.259
_cell_angle_beta   60.337
_cell_angle_gamma   74.259
_symmetry_Int_Tables_number   1
_cell_volume   248.964
_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  0.629  0.613  0.629  1.0
  Sr  Sr1  1  0.871  0.887  0.871  1.0
  La  La2  1  0.129  0.130  0.129  1.0
  La  La3  1  0.371  0.370  0.371  1.0
  Cr  Cr4  1  0.750  0.250  0.750  1.0
  Cr  Cr5  1  0.002  0.497  0.002  1.0
  Cr  Cr6  1  0.498  0.003  0.498  1.0
  Mo  Mo7  1  0.250  0.750  0.250  1.0
  O  O8  1  0.587  0.163  0.587  1.0
  O  O9  1  0.913  0.337  0.913  1.0
  O  O10  1  0.097  0.660  0.097  1.0
  O  O11  1  0.403  0.840  0.403  1.0
  O  O12  1  0.110  0.111  0.594  1.0
  O  O13  1  0.906  0.389  0.390  1.0
  O  O14  1  0.390  0.389  0.906  1.0
  O  O15  1  0.594  0.111  0.110  1.0
  O  O16  1  0.605  0.601  0.116  1.0
  O  O17  1  0.384  0.899  0.895  1.0
  O  O18  1  0.895  0.899  0.384  1.0
  O  O19  1  0.116  0.601  0.605  1.0
[/CIF]
.