The compound described by MgO is Moissanite-4H-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing MgO4 tetrahedra. In the second Mg site, Mg(2) is bonded to one O(1) and three equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. In the third Mg site, Mg(3) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. In the fifth Mg site, Mg(5) is bonded to one O(3) and three equivalent O(6) atoms to form corner-sharing MgO4 tetrahedra. In the sixth Mg site, Mg(6) is bonded to one O(6) and three equivalent O(5) atoms to form corner-sharing MgO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2) and three equivalent Mg(3) atoms to form corner-sharing OMg4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Mg(4) atoms to form corner-sharing OMg4 tetrahedra. In the third O site, O(3) is bonded to one Mg(5) and three equivalent Mg(2) atoms to form corner-sharing OMg4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(3) and three equivalent Mg(1) atoms to form corner-sharing OMg4 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(4) and three equivalent Mg(6) atoms to form corner-sharing OMg4 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(6) and three equivalent Mg(5) atoms to form corner-sharing OMg4 tetrahedra. is represented by the CIF file [CIF]
data_MgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.259
_cell_length_b   3.259
_cell_length_c   15.461
_cell_angle_alpha   90.017
_cell_angle_beta   89.986
_cell_angle_gamma   120.030
_symmetry_Int_Tables_number   1
_cell_volume   142.182
_cell_formula_units_Z   6
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  0.333  0.667  0.352  1.0
  Mg  Mg1  1  0.333  0.667  0.021  1.0
  Mg  Mg2  1  1.000  1.000  0.186  1.0
  Mg  Mg3  1  0.999  0.001  0.518  1.0
  Mg  Mg4  1  0.001  0.999  0.853  1.0
  Mg  Mg5  1  0.667  0.333  0.686  1.0
  O  O6  1  0.333  0.667  0.148  1.0
  O  O7  1  0.332  0.668  0.480  1.0
  O  O8  1  0.000  1.000  0.982  1.0
  O  O9  1  1.000  0.000  0.314  1.0
  O  O10  1  1.000  1.000  0.647  1.0
  O  O11  1  0.668  0.332  0.814  1.0
[/CIF]
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The compound described by MgO is Moissanite-4H-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2) and three equivalent O(4) atoms to form corner-sharing MgO4 tetrahedra. In the second Mg site, Mg(2) is bonded to one O(1) and three equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. In the third Mg site, Mg(3) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. In the fifth Mg site, Mg(5) is bonded to one O(3) and three equivalent O(6) atoms to form corner-sharing MgO4 tetrahedra. In the sixth Mg site, Mg(6) is bonded to one O(6) and three equivalent O(5) atoms to form corner-sharing MgO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(2) and three equivalent Mg(3) atoms to form corner-sharing OMg4 tetrahedra. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Mg(4) atoms to form corner-sharing OMg4 tetrahedra. In the third O site, O(3) is bonded to one Mg(5) and three equivalent Mg(2) atoms to form corner-sharing OMg4 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(3) and three equivalent Mg(1) atoms to form corner-sharing OMg4 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(4) and three equivalent Mg(6) atoms to form corner-sharing OMg4 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(6) and three equivalent Mg(5) atoms to form corner-sharing OMg4 tetrahedra. is represented by the CIF file [CIF]
data_MgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.259
_cell_length_b   3.259
_cell_length_c   15.461
_cell_angle_alpha   90.017
_cell_angle_beta   89.986
_cell_angle_gamma   120.030
_symmetry_Int_Tables_number   1
_cell_volume   142.182
_cell_formula_units_Z   6
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  0.333  0.667  0.352  1.0
  Mg  Mg1  1  0.333  0.667  0.021  1.0
  Mg  Mg2  1  1.000  1.000  0.186  1.0
  Mg  Mg3  1  0.999  0.001  0.518  1.0
  Mg  Mg4  1  0.001  0.999  0.853  1.0
  Mg  Mg5  1  0.667  0.333  0.686  1.0
  O  O6  1  0.333  0.667  0.148  1.0
  O  O7  1  0.332  0.668  0.480  1.0
  O  O8  1  0.000  1.000  0.982  1.0
  O  O9  1  1.000  0.000  0.314  1.0
  O  O10  1  1.000  1.000  0.647  1.0
  O  O11  1  0.668  0.332  0.814  1.0
[/CIF]
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