The crystal structure described by LaMoFeZnO6 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-43°. In the second Mo site, Mo(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 27-45°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 27-43°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-45°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form ZnO4 trigonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-70°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one La(2), one Mo(1), one Fe(1), and one Zn(2) atom to form distorted corner-sharing OLaZnFeMo trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one Mo(2), one Fe(2), and one Zn(1) atom to form distorted edge-sharing OLaZnFeMo trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(1), one Fe(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(2), one Fe(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(2), one Fe(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(1), one Fe(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one Mo(2), one Fe(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one La(1), one Mo(1), one Fe(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OLaZnFeMo trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one La(2), one Mo(2), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one La(1), one Mo(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one La(2), one Mo(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(1), one Mo(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_LaZnFeMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.493
_cell_length_b   7.852
_cell_length_c   5.816
_cell_angle_alpha   89.958
_cell_angle_beta   90.628
_cell_angle_gamma   89.554
_symmetry_Int_Tables_number   1
_cell_volume   250.841
_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  0.982  0.246  0.057  1.0
  La  La1  1  0.480  0.747  0.443  1.0
  Zn  Zn2  1  0.484  0.247  0.396  1.0
  Zn  Zn3  1  0.975  0.752  0.104  1.0
  Fe  Fe4  1  0.497  0.502  0.989  1.0
  Fe  Fe5  1  0.994  0.001  0.523  1.0
  Mo  Mo6  1  0.497  0.997  0.975  1.0
  Mo  Mo7  1  0.002  0.496  0.528  1.0
  O  O8  1  0.627  0.754  0.028  1.0
  O  O9  1  0.132  0.253  0.472  1.0
  O  O10  1  0.190  0.942  0.195  1.0
  O  O11  1  0.700  0.441  0.310  1.0
  O  O12  1  0.176  0.550  0.212  1.0
  O  O13  1  0.701  0.052  0.301  1.0
  O  O14  1  0.914  0.749  0.497  1.0
  O  O15  1  0.411  0.246  0.013  1.0
  O  O16  1  0.302  0.549  0.694  1.0
  O  O17  1  0.812  0.057  0.790  1.0
  O  O18  1  0.311  0.957  0.689  1.0
  O  O19  1  0.813  0.461  0.783  1.0
[/CIF]
.
The crystal structure described by LaMoFeZnO6 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 29-43°. In the second Mo site, Mo(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 27-45°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 27-43°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 28-45°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form ZnO4 trigonal pyramids that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-69°. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-70°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one La(2), one Mo(1), one Fe(1), and one Zn(2) atom to form distorted corner-sharing OLaZnFeMo trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one Mo(2), one Fe(2), and one Zn(1) atom to form distorted edge-sharing OLaZnFeMo trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(1), one Fe(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(2), one Fe(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(2), one Fe(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Mo(1), one Fe(2), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one Mo(2), one Fe(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one La(1), one Mo(1), one Fe(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OLaZnFeMo trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one La(2), one Mo(2), and one Fe(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one La(1), one Mo(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one La(2), one Mo(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(1), one Mo(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_LaZnFeMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.493
_cell_length_b   7.852
_cell_length_c   5.816
_cell_angle_alpha   89.958
_cell_angle_beta   90.628
_cell_angle_gamma   89.554
_symmetry_Int_Tables_number   1
_cell_volume   250.841
_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  0.982  0.246  0.057  1.0
  La  La1  1  0.480  0.747  0.443  1.0
  Zn  Zn2  1  0.484  0.247  0.396  1.0
  Zn  Zn3  1  0.975  0.752  0.104  1.0
  Fe  Fe4  1  0.497  0.502  0.989  1.0
  Fe  Fe5  1  0.994  0.001  0.523  1.0
  Mo  Mo6  1  0.497  0.997  0.975  1.0
  Mo  Mo7  1  0.002  0.496  0.528  1.0
  O  O8  1  0.627  0.754  0.028  1.0
  O  O9  1  0.132  0.253  0.472  1.0
  O  O10  1  0.190  0.942  0.195  1.0
  O  O11  1  0.700  0.441  0.310  1.0
  O  O12  1  0.176  0.550  0.212  1.0
  O  O13  1  0.701  0.052  0.301  1.0
  O  O14  1  0.914  0.749  0.497  1.0
  O  O15  1  0.411  0.246  0.013  1.0
  O  O16  1  0.302  0.549  0.694  1.0
  O  O17  1  0.812  0.057  0.790  1.0
  O  O18  1  0.311  0.957  0.689  1.0
  O  O19  1  0.813  0.461  0.783  1.0
[/CIF]
.