The material described by MgLaCrCoO6 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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. 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. Co(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 CoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one La(1), one Cr(1), and one Co(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 Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Cr(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Cr(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Cr(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   5.311
_cell_length_c   9.392
_cell_angle_alpha   55.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.259
_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  0.283  0.752  0.247  1.0
  La  La1  1  0.717  0.752  0.747  1.0
  Mg  Mg2  1  0.805  0.236  0.245  1.0
  Mg  Mg3  1  0.195  0.236  0.745  1.0
  Cr  Cr4  1  0.244  0.990  0.498  1.0
  Cr  Cr5  1  0.756  0.990  0.998  1.0
  Co  Co6  1  0.255  0.489  0.001  1.0
  Co  Co7  1  0.745  0.489  0.501  1.0
  O  O8  1  0.806  0.319  0.755  1.0
  O  O9  1  0.010  0.167  0.057  1.0
  O  O10  1  0.025  0.771  0.454  1.0
  O  O11  1  0.549  0.261  0.056  1.0
  O  O12  1  0.550  0.889  0.441  1.0
  O  O13  1  0.272  0.627  0.746  1.0
  O  O14  1  0.194  0.319  0.255  1.0
  O  O15  1  0.990  0.167  0.557  1.0
  O  O16  1  0.975  0.771  0.954  1.0
  O  O17  1  0.451  0.261  0.556  1.0
  O  O18  1  0.450  0.889  0.941  1.0
  O  O19  1  0.728  0.627  0.246  1.0
[/CIF]
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The material described by MgLaCrCoO6 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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. 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. Co(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 CoO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one La(1), one Cr(1), and one Co(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 Cr(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Cr(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Cr(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Cr(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMgCrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   5.311
_cell_length_c   9.392
_cell_angle_alpha   55.990
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.259
_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  0.283  0.752  0.247  1.0
  La  La1  1  0.717  0.752  0.747  1.0
  Mg  Mg2  1  0.805  0.236  0.245  1.0
  Mg  Mg3  1  0.195  0.236  0.745  1.0
  Cr  Cr4  1  0.244  0.990  0.498  1.0
  Cr  Cr5  1  0.756  0.990  0.998  1.0
  Co  Co6  1  0.255  0.489  0.001  1.0
  Co  Co7  1  0.745  0.489  0.501  1.0
  O  O8  1  0.806  0.319  0.755  1.0
  O  O9  1  0.010  0.167  0.057  1.0
  O  O10  1  0.025  0.771  0.454  1.0
  O  O11  1  0.549  0.261  0.056  1.0
  O  O12  1  0.550  0.889  0.441  1.0
  O  O13  1  0.272  0.627  0.746  1.0
  O  O14  1  0.194  0.319  0.255  1.0
  O  O15  1  0.990  0.167  0.557  1.0
  O  O16  1  0.975  0.771  0.954  1.0
  O  O17  1  0.451  0.261  0.556  1.0
  O  O18  1  0.450  0.889  0.941  1.0
  O  O19  1  0.728  0.627  0.246  1.0
[/CIF]
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