The compound described by MgTa4O12 crystallizes in the cubic Im-3 space group. Mg(1) is bonded to twelve equivalent O(1) atoms to form MgO12 cuboctahedra that share faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with two equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. O(1) is bonded in a distorted linear geometry to one Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_MgTa4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   6.838
_cell_length_c   6.839
_cell_angle_alpha   109.446
_cell_angle_beta   109.473
_cell_angle_gamma   109.485
_symmetry_Int_Tables_number   1
_cell_volume   246.260
_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
  Mg  Mg0  1  1.000  0.000  0.000  1.0
  Ta  Ta1  1  1.000  0.500  1.000  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.236  0.989  0.753  1.0
  O  O6  1  0.011  0.247  0.764  1.0
  O  O7  1  0.236  0.483  0.247  1.0
  O  O8  1  0.247  0.764  0.011  1.0
  O  O9  1  0.517  0.753  0.764  1.0
  O  O10  1  0.247  0.236  0.483  1.0
  O  O11  1  0.753  0.764  0.517  1.0
  O  O12  1  0.483  0.247  0.236  1.0
  O  O13  1  0.753  0.236  0.989  1.0
  O  O14  1  0.764  0.517  0.753  1.0
  O  O15  1  0.989  0.753  0.236  1.0
  O  O16  1  0.764  0.011  0.247  1.0
[/CIF]
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The compound described by MgTa4O12 crystallizes in the cubic Im-3 space group. Mg(1) is bonded to twelve equivalent O(1) atoms to form MgO12 cuboctahedra that share faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to six equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with two equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. O(1) is bonded in a distorted linear geometry to one Mg(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_MgTa4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   6.838
_cell_length_c   6.839
_cell_angle_alpha   109.446
_cell_angle_beta   109.473
_cell_angle_gamma   109.485
_symmetry_Int_Tables_number   1
_cell_volume   246.260
_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
  Mg  Mg0  1  1.000  0.000  0.000  1.0
  Ta  Ta1  1  1.000  0.500  1.000  1.0
  Ta  Ta2  1  0.000  0.000  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.236  0.989  0.753  1.0
  O  O6  1  0.011  0.247  0.764  1.0
  O  O7  1  0.236  0.483  0.247  1.0
  O  O8  1  0.247  0.764  0.011  1.0
  O  O9  1  0.517  0.753  0.764  1.0
  O  O10  1  0.247  0.236  0.483  1.0
  O  O11  1  0.753  0.764  0.517  1.0
  O  O12  1  0.483  0.247  0.236  1.0
  O  O13  1  0.753  0.236  0.989  1.0
  O  O14  1  0.764  0.517  0.753  1.0
  O  O15  1  0.989  0.753  0.236  1.0
  O  O16  1  0.764  0.011  0.247  1.0
[/CIF]
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