The material described by MgTa2Zn2O8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. Zn(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Ta(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Zn(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the fourth O site, O(3) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgTa2Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.098
_cell_length_b   10.098
_cell_length_c   5.259
_cell_angle_alpha   89.739
_cell_angle_beta   89.739
_cell_angle_gamma   34.269
_symmetry_Int_Tables_number   1
_cell_volume   301.962
_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
  Mg  Mg0  1  0.646  0.354  0.750  1.0
  Mg  Mg1  1  0.354  0.646  0.250  1.0
  Ta  Ta2  1  0.275  0.954  0.762  1.0
  Ta  Ta3  1  0.725  0.046  0.238  1.0
  Ta  Ta4  1  0.046  0.725  0.738  1.0
  Ta  Ta5  1  0.954  0.275  0.262  1.0
  Zn  Zn6  1  0.434  0.126  0.739  1.0
  Zn  Zn7  1  0.566  0.874  0.261  1.0
  Zn  Zn8  1  0.874  0.566  0.761  1.0
  Zn  Zn9  1  0.126  0.434  0.239  1.0
  O  O10  1  0.718  0.922  0.944  1.0
  O  O11  1  0.282  0.078  0.056  1.0
  O  O12  1  0.078  0.282  0.556  1.0
  O  O13  1  0.922  0.718  0.444  1.0
  O  O14  1  0.816  0.044  0.574  1.0
  O  O15  1  0.184  0.956  0.426  1.0
  O  O16  1  0.956  0.184  0.926  1.0
  O  O17  1  0.044  0.816  0.074  1.0
  O  O18  1  0.547  0.838  0.631  1.0
  O  O19  1  0.453  0.162  0.369  1.0
  O  O20  1  0.162  0.453  0.869  1.0
  O  O21  1  0.838  0.547  0.131  1.0
  O  O22  1  0.317  0.567  0.590  1.0
  O  O23  1  0.683  0.433  0.410  1.0
  O  O24  1  0.433  0.683  0.910  1.0
  O  O25  1  0.567  0.317  0.090  1.0
[/CIF]
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The material described by MgTa2Zn2O8 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. Zn(1) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Ta(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Zn(1) atom. In the third O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the fourth O site, O(3) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgTa2Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.098
_cell_length_b   10.098
_cell_length_c   5.259
_cell_angle_alpha   89.739
_cell_angle_beta   89.739
_cell_angle_gamma   34.269
_symmetry_Int_Tables_number   1
_cell_volume   301.962
_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
  Mg  Mg0  1  0.646  0.354  0.750  1.0
  Mg  Mg1  1  0.354  0.646  0.250  1.0
  Ta  Ta2  1  0.275  0.954  0.762  1.0
  Ta  Ta3  1  0.725  0.046  0.238  1.0
  Ta  Ta4  1  0.046  0.725  0.738  1.0
  Ta  Ta5  1  0.954  0.275  0.262  1.0
  Zn  Zn6  1  0.434  0.126  0.739  1.0
  Zn  Zn7  1  0.566  0.874  0.261  1.0
  Zn  Zn8  1  0.874  0.566  0.761  1.0
  Zn  Zn9  1  0.126  0.434  0.239  1.0
  O  O10  1  0.718  0.922  0.944  1.0
  O  O11  1  0.282  0.078  0.056  1.0
  O  O12  1  0.078  0.282  0.556  1.0
  O  O13  1  0.922  0.718  0.444  1.0
  O  O14  1  0.816  0.044  0.574  1.0
  O  O15  1  0.184  0.956  0.426  1.0
  O  O16  1  0.956  0.184  0.926  1.0
  O  O17  1  0.044  0.816  0.074  1.0
  O  O18  1  0.547  0.838  0.631  1.0
  O  O19  1  0.453  0.162  0.369  1.0
  O  O20  1  0.162  0.453  0.869  1.0
  O  O21  1  0.838  0.547  0.131  1.0
  O  O22  1  0.317  0.567  0.590  1.0
  O  O23  1  0.683  0.433  0.410  1.0
  O  O24  1  0.433  0.683  0.910  1.0
  O  O25  1  0.567  0.317  0.090  1.0
[/CIF]
.