The material described by Mg2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted edge-sharing MgCl2O4 octahedra. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mg(2), and one O(2) atom. Cl(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.472
_cell_length_c   8.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.787
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.750  0.277  0.750  1.0
  Mg  Mg5  1  0.750  0.777  0.750  1.0
  Mg  Mg6  1  0.250  0.723  0.250  1.0
  Mg  Mg7  1  0.250  0.223  0.250  1.0
  Cl  Cl8  1  0.250  0.244  0.559  1.0
  Cl  Cl9  1  0.250  0.744  0.941  1.0
  Cl  Cl10  1  0.750  0.756  0.441  1.0
  Cl  Cl11  1  0.750  0.256  0.059  1.0
  O  O12  1  0.750  0.336  0.511  1.0
  O  O13  1  0.750  0.836  0.989  1.0
  O  O14  1  0.250  0.664  0.489  1.0
  O  O15  1  0.250  0.164  0.011  1.0
  O  O16  1  0.872  0.028  0.773  1.0
  O  O17  1  0.628  0.528  0.727  1.0
  O  O18  1  0.372  0.972  0.227  1.0
  O  O19  1  0.128  0.472  0.273  1.0
  O  O20  1  0.128  0.972  0.227  1.0
  O  O21  1  0.372  0.472  0.273  1.0
  O  O22  1  0.628  0.028  0.773  1.0
  O  O23  1  0.872  0.528  0.727  1.0
[/CIF]
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The material described by Mg2O3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted edge-sharing MgCl2O4 octahedra. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(1), four equivalent O(2), and one Cl(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mg(2), and one O(2) atom. Cl(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.472
_cell_length_c   8.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.787
_cell_formula_units_Z   4
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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.750  0.277  0.750  1.0
  Mg  Mg5  1  0.750  0.777  0.750  1.0
  Mg  Mg6  1  0.250  0.723  0.250  1.0
  Mg  Mg7  1  0.250  0.223  0.250  1.0
  Cl  Cl8  1  0.250  0.244  0.559  1.0
  Cl  Cl9  1  0.250  0.744  0.941  1.0
  Cl  Cl10  1  0.750  0.756  0.441  1.0
  Cl  Cl11  1  0.750  0.256  0.059  1.0
  O  O12  1  0.750  0.336  0.511  1.0
  O  O13  1  0.750  0.836  0.989  1.0
  O  O14  1  0.250  0.664  0.489  1.0
  O  O15  1  0.250  0.164  0.011  1.0
  O  O16  1  0.872  0.028  0.773  1.0
  O  O17  1  0.628  0.528  0.727  1.0
  O  O18  1  0.372  0.972  0.227  1.0
  O  O19  1  0.128  0.472  0.273  1.0
  O  O20  1  0.128  0.972  0.227  1.0
  O  O21  1  0.372  0.472  0.273  1.0
  O  O22  1  0.628  0.028  0.773  1.0
  O  O23  1  0.872  0.528  0.727  1.0
[/CIF]
.