The crystal structure described by CsMg6SiO8 crystallizes in the orthorhombic Pmmm space group. Cs(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CsO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cs(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cs(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, and edges with four equivalent Mg(4)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 distorted 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, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth Mg site, Mg(4) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(4)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, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Si(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg5 square pyramids that share corners with two equivalent O(3)Cs2Mg2Si2 octahedra, corners with two equivalent O(5)Cs2Mg2Si2 octahedra, corners with five equivalent O(1)Mg5 square pyramids, edges with two equivalent O(4)Mg6 octahedra, edges with two equivalent O(6)Mg6 octahedra, and edges with four equivalent O(2)CsMg5 octahedra. The corner-sharing octahedral tilt angles are 92°. In the second O site, O(2) is bonded to one Cs(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OCsMg5 octahedra that share corners with six equivalent O(2)CsMg5 octahedra, edges with two equivalent O(3)Cs2Mg2Si2 octahedra, edges with two equivalent O(5)Cs2Mg2Si2 octahedra, edges with two equivalent O(4)Mg6 octahedra, edges with two equivalent O(6)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Si(1) atoms to form OCs2Mg2Si2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Si2 octahedra, corners with four equivalent O(1)Mg5 square pyramids, edges with four equivalent O(5)Cs2Mg2Si2 octahedra, and edges with four equivalent O(2)CsMg5 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)Cs2Mg2Si2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)CsMg5 octahedra, edges with four equivalent O(6)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Cs(1), two equivalent Mg(4), and two equivalent Si(1) atoms to form OCs2Mg2Si2 octahedra that share corners with two equivalent O(6)Mg6 octahedra, corners with four equivalent O(5)Cs2Mg2Si2 octahedra, corners with four equivalent O(1)Mg5 square pyramids, edges with four equivalent O(3)Cs2Mg2Si2 octahedra, and edges with four equivalent O(2)CsMg5 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Cs2Mg2Si2 octahedra, corners with four equivalent O(6)Mg6 octahedra, edges with four equivalent O(2)CsMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CsMg6SiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.499
_cell_length_b   4.599
_cell_length_c   4.505
_cell_angle_alpha   90.094
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.819
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  1.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.282  1.000  0.500  1.0
  Mg  Mg4  1  0.718  1.000  0.500  1.0
  Mg  Mg5  1  0.283  0.500  0.000  1.0
  Mg  Mg6  1  0.717  0.500  0.000  1.0
  Si  Si7  1  0.000  1.000  0.000  1.0
  O  O8  1  0.275  1.000  0.000  1.0
  O  O9  1  0.725  1.000  0.000  1.0
  O  O10  1  0.291  0.500  0.500  1.0
  O  O11  1  0.709  0.500  0.500  1.0
  O  O12  1  0.000  1.000  0.500  1.0
  O  O13  1  0.500  1.000  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 CsMg6SiO8 crystallizes in the orthorhombic Pmmm space group. Cs(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CsO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Cs(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cs(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, and edges with four equivalent Mg(4)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 distorted 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, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth Mg site, Mg(4) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(4)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, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Si(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg5 square pyramids that share corners with two equivalent O(3)Cs2Mg2Si2 octahedra, corners with two equivalent O(5)Cs2Mg2Si2 octahedra, corners with five equivalent O(1)Mg5 square pyramids, edges with two equivalent O(4)Mg6 octahedra, edges with two equivalent O(6)Mg6 octahedra, and edges with four equivalent O(2)CsMg5 octahedra. The corner-sharing octahedral tilt angles are 92°. In the second O site, O(2) is bonded to one Cs(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OCsMg5 octahedra that share corners with six equivalent O(2)CsMg5 octahedra, edges with two equivalent O(3)Cs2Mg2Si2 octahedra, edges with two equivalent O(5)Cs2Mg2Si2 octahedra, edges with two equivalent O(4)Mg6 octahedra, edges with two equivalent O(6)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Si(1) atoms to form OCs2Mg2Si2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Si2 octahedra, corners with four equivalent O(1)Mg5 square pyramids, edges with four equivalent O(5)Cs2Mg2Si2 octahedra, and edges with four equivalent O(2)CsMg5 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)Cs2Mg2Si2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(2)CsMg5 octahedra, edges with four equivalent O(6)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Cs(1), two equivalent Mg(4), and two equivalent Si(1) atoms to form OCs2Mg2Si2 octahedra that share corners with two equivalent O(6)Mg6 octahedra, corners with four equivalent O(5)Cs2Mg2Si2 octahedra, corners with four equivalent O(1)Mg5 square pyramids, edges with four equivalent O(3)Cs2Mg2Si2 octahedra, and edges with four equivalent O(2)CsMg5 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Cs2Mg2Si2 octahedra, corners with four equivalent O(6)Mg6 octahedra, edges with four equivalent O(2)CsMg5 octahedra, edges with four equivalent O(4)Mg6 octahedra, and edges with four equivalent O(1)Mg5 square pyramids. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CsMg6SiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.499
_cell_length_b   4.599
_cell_length_c   4.505
_cell_angle_alpha   90.094
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.819
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.500  1.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.282  1.000  0.500  1.0
  Mg  Mg4  1  0.718  1.000  0.500  1.0
  Mg  Mg5  1  0.283  0.500  0.000  1.0
  Mg  Mg6  1  0.717  0.500  0.000  1.0
  Si  Si7  1  0.000  1.000  0.000  1.0
  O  O8  1  0.275  1.000  0.000  1.0
  O  O9  1  0.725  1.000  0.000  1.0
  O  O10  1  0.291  0.500  0.500  1.0
  O  O11  1  0.709  0.500  0.500  1.0
  O  O12  1  0.000  1.000  0.500  1.0
  O  O13  1  0.500  1.000  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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