The material structure described by MgLa4Cr2O12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and three equivalent O(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(6) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1) and three equivalent La(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one La(1), one La(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one La(1), two equivalent La(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2) and three equivalent La(1) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one La(2), and one Cr(1) atom to form distorted edge-sharing OLa2MgCr trigonal pyramids. is represented by the CIF file [CIF]
data_La4MgCr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   7.073
_cell_length_c   8.952
_cell_angle_alpha   108.241
_cell_angle_beta   90.000
_cell_angle_gamma   111.510
_symmetry_Int_Tables_number   1
_cell_volume   287.756
_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
  La  La0  1  0.702  0.385  0.086  1.0
  La  La1  1  0.317  0.615  0.414  1.0
  La  La2  1  0.721  0.353  0.600  1.0
  La  La3  1  0.368  0.647  0.900  1.0
  Mg  Mg4  1  0.406  0.000  0.250  1.0
  Cr  Cr5  1  0.908  0.000  0.250  1.0
  Cr  Cr6  1  0.061  0.000  0.750  1.0
  O  O7  1  0.697  0.498  0.867  1.0
  O  O8  1  0.248  0.995  0.901  1.0
  O  O9  1  0.244  0.218  0.311  1.0
  O  O10  1  0.764  0.781  0.689  1.0
  O  O11  1  0.200  0.502  0.633  1.0
  O  O12  1  0.252  0.005  0.599  1.0
  O  O13  1  0.830  0.466  0.368  1.0
  O  O14  1  0.682  0.010  0.098  1.0
  O  O15  1  0.364  0.534  0.132  1.0
  O  O16  1  0.671  0.990  0.402  1.0
  O  O17  1  0.983  0.219  0.811  1.0
  O  O18  1  0.026  0.782  0.189  1.0
[/CIF]
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The material structure described by MgLa4Cr2O12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and three equivalent O(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(6) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1) and three equivalent La(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one La(1), one La(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one La(1), two equivalent La(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2) and three equivalent La(1) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one La(2), and one Cr(1) atom to form distorted edge-sharing OLa2MgCr trigonal pyramids. is represented by the CIF file [CIF]
data_La4MgCr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.187
_cell_length_b   7.073
_cell_length_c   8.952
_cell_angle_alpha   108.241
_cell_angle_beta   90.000
_cell_angle_gamma   111.510
_symmetry_Int_Tables_number   1
_cell_volume   287.756
_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
  La  La0  1  0.702  0.385  0.086  1.0
  La  La1  1  0.317  0.615  0.414  1.0
  La  La2  1  0.721  0.353  0.600  1.0
  La  La3  1  0.368  0.647  0.900  1.0
  Mg  Mg4  1  0.406  0.000  0.250  1.0
  Cr  Cr5  1  0.908  0.000  0.250  1.0
  Cr  Cr6  1  0.061  0.000  0.750  1.0
  O  O7  1  0.697  0.498  0.867  1.0
  O  O8  1  0.248  0.995  0.901  1.0
  O  O9  1  0.244  0.218  0.311  1.0
  O  O10  1  0.764  0.781  0.689  1.0
  O  O11  1  0.200  0.502  0.633  1.0
  O  O12  1  0.252  0.005  0.599  1.0
  O  O13  1  0.830  0.466  0.368  1.0
  O  O14  1  0.682  0.010  0.098  1.0
  O  O15  1  0.364  0.534  0.132  1.0
  O  O16  1  0.671  0.990  0.402  1.0
  O  O17  1  0.983  0.219  0.811  1.0
  O  O18  1  0.026  0.782  0.189  1.0
[/CIF]
.