The material structure described by CsMg6BiO8 is Caswellsilverite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CsO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cs(1)O6 octahedra, edges with four equivalent Bi(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 Cs(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 MgO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Cs(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Cs(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 one Cs(1), one Mg(1), and four equivalent Mg(3) atoms to form OCsMg5 octahedra that share corners with six equivalent O(1)CsMg5 octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(2)Mg5Bi octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Bi(1) atom to form OMg5Bi octahedra that share corners with six equivalent O(2)Mg5Bi octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Bi(1) atoms to form OCs2Mg2Bi2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(2)Mg5Bi octahedra. The corner-sharing octahedra are not tilted. 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 two equivalent O(3)Cs2Mg2Bi2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)CsMg5 octahedra, edges with four equivalent O(2)Mg5Bi octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CsMg6BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.162
_cell_length_b   4.822
_cell_length_c   4.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.052
_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
  Cs  Cs0  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  0.277  0.000  0.500  1.0
  Mg  Mg4  1  0.723  0.000  0.500  1.0
  Mg  Mg5  1  0.277  0.500  0.000  1.0
  Mg  Mg6  1  0.723  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.291  0.000  0.000  1.0
  O  O9  1  0.709  0.000  0.000  1.0
  O  O10  1  0.270  0.500  0.500  1.0
  O  O11  1  0.730  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 material structure described by CsMg6BiO8 is Caswellsilverite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CsO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cs(1)O6 octahedra, edges with four equivalent Bi(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 Cs(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 MgO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Mg(2)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. 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 Cs(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with four equivalent Cs(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 one Cs(1), one Mg(1), and four equivalent Mg(3) atoms to form OCsMg5 octahedra that share corners with six equivalent O(1)CsMg5 octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(2)Mg5Bi octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(2), four equivalent Mg(3), and one Bi(1) atom to form OMg5Bi octahedra that share corners with six equivalent O(2)Mg5Bi octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Bi(1) atoms to form OCs2Mg2Bi2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(3)Cs2Mg2Bi2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(2)Mg5Bi octahedra. The corner-sharing octahedra are not tilted. 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 two equivalent O(3)Cs2Mg2Bi2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)CsMg5 octahedra, edges with four equivalent O(2)Mg5Bi octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_CsMg6BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.162
_cell_length_b   4.822
_cell_length_c   4.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.052
_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
  Cs  Cs0  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  0.277  0.000  0.500  1.0
  Mg  Mg4  1  0.723  0.000  0.500  1.0
  Mg  Mg5  1  0.277  0.500  0.000  1.0
  Mg  Mg6  1  0.723  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.291  0.000  0.000  1.0
  O  O9  1  0.709  0.000  0.000  1.0
  O  O10  1  0.270  0.500  0.500  1.0
  O  O11  1  0.730  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]
.