The material structure described by MgLaTaFeO6 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(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ta(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 TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. Fe(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 FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Ta(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Ta(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgTaFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgTaFe tetrahedra. is represented by the CIF card [CIF]
data_LaMgTaFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   8.033
_cell_length_c   5.619
_cell_angle_alpha   89.974
_cell_angle_beta   90.004
_cell_angle_gamma   90.282
_symmetry_Int_Tables_number   1
_cell_volume   246.176
_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  0.992  0.250  0.049  1.0
  La  La1  1  0.492  0.750  0.451  1.0
  Mg  Mg2  1  0.526  0.257  0.554  1.0
  Mg  Mg3  1  0.026  0.757  0.946  1.0
  Ta  Ta4  1  0.003  0.498  0.510  1.0
  Ta  Ta5  1  0.503  0.998  0.990  1.0
  Fe  Fe6  1  0.499  0.499  0.004  1.0
  Fe  Fe7  1  0.999  0.999  0.496  1.0
  O  O8  1  0.647  0.769  0.035  1.0
  O  O9  1  0.147  0.269  0.465  1.0
  O  O10  1  0.195  0.939  0.184  1.0
  O  O11  1  0.694  0.439  0.316  1.0
  O  O12  1  0.164  0.571  0.203  1.0
  O  O13  1  0.664  0.071  0.296  1.0
  O  O14  1  0.902  0.734  0.567  1.0
  O  O15  1  0.402  0.234  0.933  1.0
  O  O16  1  0.282  0.557  0.716  1.0
  O  O17  1  0.782  0.058  0.784  1.0
  O  O18  1  0.291  0.925  0.725  1.0
  O  O19  1  0.791  0.425  0.775  1.0
[/CIF]
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The material structure described by MgLaTaFeO6 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(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ta(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 TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. Fe(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 FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Ta(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Ta(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgTaFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one Ta(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgTaFe tetrahedra. is represented by the CIF card [CIF]
data_LaMgTaFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.454
_cell_length_b   8.033
_cell_length_c   5.619
_cell_angle_alpha   89.974
_cell_angle_beta   90.004
_cell_angle_gamma   90.282
_symmetry_Int_Tables_number   1
_cell_volume   246.176
_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  0.992  0.250  0.049  1.0
  La  La1  1  0.492  0.750  0.451  1.0
  Mg  Mg2  1  0.526  0.257  0.554  1.0
  Mg  Mg3  1  0.026  0.757  0.946  1.0
  Ta  Ta4  1  0.003  0.498  0.510  1.0
  Ta  Ta5  1  0.503  0.998  0.990  1.0
  Fe  Fe6  1  0.499  0.499  0.004  1.0
  Fe  Fe7  1  0.999  0.999  0.496  1.0
  O  O8  1  0.647  0.769  0.035  1.0
  O  O9  1  0.147  0.269  0.465  1.0
  O  O10  1  0.195  0.939  0.184  1.0
  O  O11  1  0.694  0.439  0.316  1.0
  O  O12  1  0.164  0.571  0.203  1.0
  O  O13  1  0.664  0.071  0.296  1.0
  O  O14  1  0.902  0.734  0.567  1.0
  O  O15  1  0.402  0.234  0.933  1.0
  O  O16  1  0.282  0.557  0.716  1.0
  O  O17  1  0.782  0.058  0.784  1.0
  O  O18  1  0.291  0.925  0.725  1.0
  O  O19  1  0.791  0.425  0.775  1.0
[/CIF]
.