The compound described by MgO6SeO3 crystallizes in the trigonal R3 space group. The structure consists of three SeO3 clusters inside a MgO6 framework. In each SeO3 cluster, Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Se(1) atom. In the MgO6 framework, Mg(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(3) atom. In the second O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(2) atom. is represented by the CIF card [CIF]
data_MgSeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.390
_cell_length_c   5.390
_cell_angle_alpha   95.539
_cell_angle_beta   95.539
_cell_angle_gamma   95.539
_symmetry_Int_Tables_number   1
_cell_volume   154.267
_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  0.998  0.998  0.998  1.0
  Se  Se1  1  0.506  0.506  0.506  1.0
  O  O2  1  0.235  0.618  0.528  1.0
  O  O3  1  0.528  0.235  0.618  1.0
  O  O4  1  0.618  0.528  0.235  1.0
  O  O5  1  0.589  0.920  0.981  1.0
  O  O6  1  0.981  0.589  0.920  1.0
  O  O7  1  0.920  0.981  0.589  1.0
  O  O8  1  0.040  0.045  0.411  1.0
  O  O9  1  0.411  0.040  0.045  1.0
  O  O10  1  0.045  0.411  0.040  1.0
[/CIF]
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The compound described by MgO6SeO3 crystallizes in the trigonal R3 space group. The structure consists of three SeO3 clusters inside a MgO6 framework. In each SeO3 cluster, Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Se(1) atom. In the MgO6 framework, Mg(1) is bonded in an octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(3) atom. In the second O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one O(2) atom. is represented by the CIF card [CIF]
data_MgSeO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.390
_cell_length_c   5.390
_cell_angle_alpha   95.539
_cell_angle_beta   95.539
_cell_angle_gamma   95.539
_symmetry_Int_Tables_number   1
_cell_volume   154.267
_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  0.998  0.998  0.998  1.0
  Se  Se1  1  0.506  0.506  0.506  1.0
  O  O2  1  0.235  0.618  0.528  1.0
  O  O3  1  0.528  0.235  0.618  1.0
  O  O4  1  0.618  0.528  0.235  1.0
  O  O5  1  0.589  0.920  0.981  1.0
  O  O6  1  0.981  0.589  0.920  1.0
  O  O7  1  0.920  0.981  0.589  1.0
  O  O8  1  0.040  0.045  0.411  1.0
  O  O9  1  0.411  0.040  0.045  1.0
  O  O10  1  0.045  0.411  0.040  1.0
[/CIF]
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