The structure described by LaMoCrZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Zn(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mo(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one 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 La(1), one Mo(1), one Cr(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mo(1), one Cr(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one La(1), one Mo(1), one Cr(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_LaZnCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.429
_cell_length_c   9.642
_cell_angle_alpha   55.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.636
_cell_formula_units_Z   2
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  0.290  0.756  0.250  1.0
  La  La1  1  0.710  0.756  0.750  1.0
  Zn  Zn2  1  0.750  0.249  0.247  1.0
  Zn  Zn3  1  0.250  0.249  0.747  1.0
  Cr  Cr4  1  0.245  0.000  0.499  1.0
  Cr  Cr5  1  0.755  0.000  0.999  1.0
  Mo  Mo6  1  0.237  0.497  0.001  1.0
  Mo  Mo7  1  0.763  0.497  0.501  1.0
  O  O8  1  0.802  0.334  0.756  1.0
  O  O9  1  0.033  0.148  0.061  1.0
  O  O10  1  0.046  0.760  0.447  1.0
  O  O11  1  0.556  0.256  0.057  1.0
  O  O12  1  0.558  0.877  0.436  1.0
  O  O13  1  0.282  0.623  0.745  1.0
  O  O14  1  0.198  0.334  0.256  1.0
  O  O15  1  0.967  0.148  0.561  1.0
  O  O16  1  0.954  0.760  0.947  1.0
  O  O17  1  0.444  0.256  0.557  1.0
  O  O18  1  0.442  0.877  0.936  1.0
  O  O19  1  0.718  0.623  0.245  1.0
[/CIF]
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The structure described by LaMoCrZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. Zn(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Mo(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mo(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one 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 La(1), one Mo(1), one Cr(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mo(1), one Cr(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one La(1), one Mo(1), one Cr(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_LaZnCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.429
_cell_length_c   9.642
_cell_angle_alpha   55.936
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.636
_cell_formula_units_Z   2
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  0.290  0.756  0.250  1.0
  La  La1  1  0.710  0.756  0.750  1.0
  Zn  Zn2  1  0.750  0.249  0.247  1.0
  Zn  Zn3  1  0.250  0.249  0.747  1.0
  Cr  Cr4  1  0.245  0.000  0.499  1.0
  Cr  Cr5  1  0.755  0.000  0.999  1.0
  Mo  Mo6  1  0.237  0.497  0.001  1.0
  Mo  Mo7  1  0.763  0.497  0.501  1.0
  O  O8  1  0.802  0.334  0.756  1.0
  O  O9  1  0.033  0.148  0.061  1.0
  O  O10  1  0.046  0.760  0.447  1.0
  O  O11  1  0.556  0.256  0.057  1.0
  O  O12  1  0.558  0.877  0.436  1.0
  O  O13  1  0.282  0.623  0.745  1.0
  O  O14  1  0.198  0.334  0.256  1.0
  O  O15  1  0.967  0.148  0.561  1.0
  O  O16  1  0.954  0.760  0.947  1.0
  O  O17  1  0.444  0.256  0.557  1.0
  O  O18  1  0.442  0.877  0.936  1.0
  O  O19  1  0.718  0.623  0.245  1.0
[/CIF]
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