The compound described by MgLaMoCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom. 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(5), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) 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 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 29-42°. In the second Mo site, Mo(2) 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 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 31-41°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom 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 29-41°. In the second Cr site, Cr(2) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom 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 31-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(2), one La(2), one Mo(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one Mo(1), and one Cr(2) atom. In the third O site, O(3) is bonded to one Mg(1), one La(1), one Mo(1), and one Cr(1) atom to form distorted corner-sharing OLaMgCrMo trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(2), one La(2), one Mo(2), and one Cr(2) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one La(1), one Mo(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), one La(2), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(1), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(2), one La(1), one La(2), one Mo(2), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mg(2), one La(1), one La(2), one Mo(1), and one Cr(1) atom. In the eleventh O site, O(11) is bonded to one Mg(2), one La(2), one Mo(1), and one Cr(2) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. In the twelfth O site, O(12) is bonded to one Mg(1), one La(1), one Mo(2), and one Cr(1) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.556
_cell_length_c   7.933
_cell_angle_alpha   90.044
_cell_angle_beta   89.689
_cell_angle_gamma   89.821
_symmetry_Int_Tables_number   1
_cell_volume   238.743
_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  0.004  0.960  0.751  1.0
  La  La1  1  0.503  0.540  0.250  1.0
  Mg  Mg2  1  0.487  0.452  0.758  1.0
  Mg  Mg3  1  0.983  0.050  0.258  1.0
  Cr  Cr4  1  1.000  0.502  1.000  1.0
  Cr  Cr5  1  0.500  0.999  0.499  1.0
  Mo  Mo6  1  0.499  0.005  0.001  1.0
  Mo  Mo7  1  0.999  0.494  0.500  1.0
  O  O8  1  0.087  0.437  0.243  1.0
  O  O9  1  0.589  0.071  0.742  1.0
  O  O10  1  0.216  0.223  0.939  1.0
  O  O11  1  0.719  0.273  0.433  1.0
  O  O12  1  0.207  0.203  0.551  1.0
  O  O13  1  0.711  0.294  0.049  1.0
  O  O14  1  0.317  0.693  0.943  1.0
  O  O15  1  0.815  0.804  0.441  1.0
  O  O16  1  0.316  0.687  0.567  1.0
  O  O17  1  0.816  0.811  0.066  1.0
  O  O18  1  0.364  0.964  0.256  1.0
  O  O19  1  0.868  0.536  0.755  1.0
[/CIF]
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The compound described by MgLaMoCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom. 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(5), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) 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 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 29-42°. In the second Mo site, Mo(2) 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 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 31-41°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(7) atom 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 29-41°. In the second Cr site, Cr(2) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom 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 31-42°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(2), one La(2), one Mo(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one Mo(1), and one Cr(2) atom. In the third O site, O(3) is bonded to one Mg(1), one La(1), one Mo(1), and one Cr(1) atom to form distorted corner-sharing OLaMgCrMo trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(2), one La(2), one Mo(2), and one Cr(2) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one La(1), one Mo(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), one La(2), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(1), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(2), one La(1), one La(2), one Mo(2), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), one La(2), one Mo(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mg(2), one La(1), one La(2), one Mo(1), and one Cr(1) atom. In the eleventh O site, O(11) is bonded to one Mg(2), one La(2), one Mo(1), and one Cr(2) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. In the twelfth O site, O(12) is bonded to one Mg(1), one La(1), one Mo(2), and one Cr(1) atom to form distorted corner-sharing OLaMgCrMo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.417
_cell_length_b   5.556
_cell_length_c   7.933
_cell_angle_alpha   90.044
_cell_angle_beta   89.689
_cell_angle_gamma   89.821
_symmetry_Int_Tables_number   1
_cell_volume   238.743
_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  0.004  0.960  0.751  1.0
  La  La1  1  0.503  0.540  0.250  1.0
  Mg  Mg2  1  0.487  0.452  0.758  1.0
  Mg  Mg3  1  0.983  0.050  0.258  1.0
  Cr  Cr4  1  1.000  0.502  1.000  1.0
  Cr  Cr5  1  0.500  0.999  0.499  1.0
  Mo  Mo6  1  0.499  0.005  0.001  1.0
  Mo  Mo7  1  0.999  0.494  0.500  1.0
  O  O8  1  0.087  0.437  0.243  1.0
  O  O9  1  0.589  0.071  0.742  1.0
  O  O10  1  0.216  0.223  0.939  1.0
  O  O11  1  0.719  0.273  0.433  1.0
  O  O12  1  0.207  0.203  0.551  1.0
  O  O13  1  0.711  0.294  0.049  1.0
  O  O14  1  0.317  0.693  0.943  1.0
  O  O15  1  0.815  0.804  0.441  1.0
  O  O16  1  0.316  0.687  0.567  1.0
  O  O17  1  0.816  0.811  0.066  1.0
  O  O18  1  0.364  0.964  0.256  1.0
  O  O19  1  0.868  0.536  0.755  1.0
[/CIF]
.