The structure described by Sr3LaCr2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) 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. In the third Sr site, Sr(3) 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. La(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mo(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Mo(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Sr3LaCr2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.727
_cell_length_c   7.991
_cell_angle_alpha   89.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.269
_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  0.000  0.000  0.755  1.0
  Sr  Sr1  1  0.500  0.504  0.246  1.0
  Sr  Sr2  1  0.000  0.992  0.244  1.0
  La  La3  1  0.500  0.504  0.765  1.0
  Cr  Cr4  1  0.000  0.499  0.000  1.0
  Cr  Cr5  1  0.500  0.001  0.500  1.0
  Mo  Mo6  1  0.000  0.500  0.499  1.0
  Mo  Mo7  1  0.500  0.001  0.003  1.0
  O  O8  1  0.000  0.439  0.251  1.0
  O  O9  1  0.500  0.928  0.747  1.0
  O  O10  1  0.000  0.557  0.749  1.0
  O  O11  1  0.500  0.060  0.254  1.0
  O  O12  1  0.251  0.256  0.538  1.0
  O  O13  1  0.747  0.739  0.023  1.0
  O  O14  1  0.749  0.256  0.538  1.0
  O  O15  1  0.253  0.739  0.023  1.0
  O  O16  1  0.754  0.749  0.471  1.0
  O  O17  1  0.256  0.263  0.960  1.0
  O  O18  1  0.246  0.749  0.471  1.0
  O  O19  1  0.744  0.263  0.960  1.0
[/CIF]
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The structure described by Sr3LaCr2(MoO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) 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. In the third Sr site, Sr(3) 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. La(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-24°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mo(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Mo(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), one Mo(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mo(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Sr3LaCr2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.727
_cell_length_c   7.991
_cell_angle_alpha   89.775
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.269
_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  0.000  0.000  0.755  1.0
  Sr  Sr1  1  0.500  0.504  0.246  1.0
  Sr  Sr2  1  0.000  0.992  0.244  1.0
  La  La3  1  0.500  0.504  0.765  1.0
  Cr  Cr4  1  0.000  0.499  0.000  1.0
  Cr  Cr5  1  0.500  0.001  0.500  1.0
  Mo  Mo6  1  0.000  0.500  0.499  1.0
  Mo  Mo7  1  0.500  0.001  0.003  1.0
  O  O8  1  0.000  0.439  0.251  1.0
  O  O9  1  0.500  0.928  0.747  1.0
  O  O10  1  0.000  0.557  0.749  1.0
  O  O11  1  0.500  0.060  0.254  1.0
  O  O12  1  0.251  0.256  0.538  1.0
  O  O13  1  0.747  0.739  0.023  1.0
  O  O14  1  0.749  0.256  0.538  1.0
  O  O15  1  0.253  0.739  0.023  1.0
  O  O16  1  0.754  0.749  0.471  1.0
  O  O17  1  0.256  0.263  0.960  1.0
  O  O18  1  0.246  0.749  0.471  1.0
  O  O19  1  0.744  0.263  0.960  1.0
[/CIF]
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