The crystal structure described by Mg6YO8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a Mg6YO8 framework. In the Mg6YO8 framework, there are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Y(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3) and one Y(1) atom to form OYMg4 square pyramids that share corners with five equivalent O(1)YMg4 square pyramids, edges with four equivalent O(2)Mg6 octahedra, and edges with four equivalent O(3)Y2Mg4 octahedra. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Y2Mg4 octahedra, and edges with four equivalent O(1)YMg4 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Y(1) atoms to form OY2Mg4 octahedra that share corners with four equivalent O(3)Y2Mg4 octahedra, edges with four equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Y2Mg4 octahedra, and edges with four equivalent O(1)YMg4 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_YMg6CO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   4.367
_cell_length_c   4.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.371
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.276  0.000  0.500  1.0
  Mg  Mg4  1  0.724  0.000  0.500  1.0
  Mg  Mg5  1  0.276  0.500  0.000  1.0
  Mg  Mg6  1  0.724  0.500  0.000  1.0
  C  C7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.244  0.000  0.000  1.0
  O  O9  1  0.756  0.000  0.000  1.0
  O  O10  1  0.251  0.500  0.500  1.0
  O  O11  1  0.749  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Mg6YO8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a Mg6YO8 framework. In the Mg6YO8 framework, there are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Y(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mg(3) and one Y(1) atom to form OYMg4 square pyramids that share corners with five equivalent O(1)YMg4 square pyramids, edges with four equivalent O(2)Mg6 octahedra, and edges with four equivalent O(3)Y2Mg4 octahedra. In the second O site, O(2) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(3) atoms to form OMg6 octahedra that share corners with six equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Y2Mg4 octahedra, and edges with four equivalent O(1)YMg4 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), and two equivalent Y(1) atoms to form OY2Mg4 octahedra that share corners with four equivalent O(3)Y2Mg4 octahedra, edges with four equivalent O(2)Mg6 octahedra, edges with four equivalent O(3)Y2Mg4 octahedra, and edges with four equivalent O(1)YMg4 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_YMg6CO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   4.367
_cell_length_c   4.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.371
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.276  0.000  0.500  1.0
  Mg  Mg4  1  0.724  0.000  0.500  1.0
  Mg  Mg5  1  0.276  0.500  0.000  1.0
  Mg  Mg6  1  0.724  0.500  0.000  1.0
  C  C7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.244  0.000  0.000  1.0
  O  O9  1  0.756  0.000  0.000  1.0
  O  O10  1  0.251  0.500  0.500  1.0
  O  O11  1  0.749  0.500  0.500  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.500  0.500  0.000  1.0
[/CIF]
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