The compound described by RbMg6O8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a RbMg6O8 framework. In the RbMg6O8 framework, Rb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Rb(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Rb(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)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 MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(3) atoms to form ORbMg5 octahedra that share corners with six equivalent O(1)RbMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Mg(2) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with five equivalent O(2)Mg5 square pyramids, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)RbMg5 octahedra. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)RbMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_RbMg6CO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.997
_cell_length_b   4.389
_cell_length_c   4.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.307
_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
  Rb  Rb0  1  0.000  0.000  0.000  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  0.262  0.000  0.500  1.0
  Mg  Mg4  1  0.738  0.000  0.500  1.0
  Mg  Mg5  1  0.262  0.500  0.000  1.0
  Mg  Mg6  1  0.738  0.500  0.000  1.0
  C  C7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.280  0.000  0.000  1.0
  O  O9  1  0.720  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 compound described by RbMg6O8C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a RbMg6O8 framework. In the RbMg6O8 framework, Rb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Rb(1)O6 octahedra, and edges with eight equivalent Mg(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent Rb(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)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 MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(3) atoms to form ORbMg5 octahedra that share corners with six equivalent O(1)RbMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Mg(2) and four equivalent Mg(3) atoms to form OMg5 square pyramids that share corners with five equivalent O(2)Mg5 square pyramids, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)RbMg5 octahedra. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and two equivalent Mg(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)RbMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_RbMg6CO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.997
_cell_length_b   4.389
_cell_length_c   4.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.307
_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
  Rb  Rb0  1  0.000  0.000  0.000  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  0.262  0.000  0.500  1.0
  Mg  Mg4  1  0.738  0.000  0.500  1.0
  Mg  Mg5  1  0.262  0.500  0.000  1.0
  Mg  Mg6  1  0.738  0.500  0.000  1.0
  C  C7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.280  0.000  0.000  1.0
  O  O9  1  0.720  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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