The material described by MgSb2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Mg(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.429
_cell_length_c   7.575
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.472
_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  0.520  0.321  0.500  1.0
  Mg  Mg1  1  0.020  0.679  0.000  1.0
  Sb  Sb2  1  0.503  0.758  0.749  1.0
  Sb  Sb3  1  0.003  0.242  0.751  1.0
  Sb  Sb4  1  0.003  0.242  0.249  1.0
  Sb  Sb5  1  0.503  0.758  0.251  1.0
  O  O6  1  0.673  0.073  0.316  1.0
  O  O7  1  0.173  0.927  0.184  1.0
  O  O8  1  0.801  0.543  0.688  1.0
  O  O9  1  0.301  0.457  0.812  1.0
  O  O10  1  0.301  0.457  0.188  1.0
  O  O11  1  0.801  0.543  0.312  1.0
  O  O12  1  0.173  0.927  0.816  1.0
  O  O13  1  0.673  0.073  0.684  1.0
  O  O14  1  0.141  0.212  0.500  1.0
  O  O15  1  0.641  0.788  0.000  1.0
  O  O16  1  0.397  0.691  0.500  1.0
  O  O17  1  0.897  0.309  0.000  1.0
[/CIF]
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The material described by MgSb2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Mg(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.429
_cell_length_c   7.575
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.472
_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  0.520  0.321  0.500  1.0
  Mg  Mg1  1  0.020  0.679  0.000  1.0
  Sb  Sb2  1  0.503  0.758  0.749  1.0
  Sb  Sb3  1  0.003  0.242  0.751  1.0
  Sb  Sb4  1  0.003  0.242  0.249  1.0
  Sb  Sb5  1  0.503  0.758  0.251  1.0
  O  O6  1  0.673  0.073  0.316  1.0
  O  O7  1  0.173  0.927  0.184  1.0
  O  O8  1  0.801  0.543  0.688  1.0
  O  O9  1  0.301  0.457  0.812  1.0
  O  O10  1  0.301  0.457  0.188  1.0
  O  O11  1  0.801  0.543  0.312  1.0
  O  O12  1  0.173  0.927  0.816  1.0
  O  O13  1  0.673  0.073  0.684  1.0
  O  O14  1  0.141  0.212  0.500  1.0
  O  O15  1  0.641  0.788  0.000  1.0
  O  O16  1  0.397  0.691  0.500  1.0
  O  O17  1  0.897  0.309  0.000  1.0
[/CIF]
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