The compound described by CsMg6GaO8 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 Ga(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 Ga(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 Ga(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Ga(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)Cs2Mg2Ga2 octahedra, edges with four equivalent O(2)Mg5Ga 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 Ga(1) atom to form OMg5Ga octahedra that share corners with six equivalent O(2)Mg5Ga octahedra, edges with four equivalent O(3)Cs2Mg2Ga2 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 0-5°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Ga(1) atoms to form OCs2Mg2Ga2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Ga2 octahedra, edges with four equivalent O(3)Cs2Mg2Ga2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(2)Mg5Ga 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)Cs2Mg2Ga2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)CsMg5 octahedra, edges with four equivalent O(2)Mg5Ga octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CsMg6GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   4.567
_cell_length_c   9.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.600
_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  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.277  1.0
  Mg  Mg4  1  0.000  0.500  0.723  1.0
  Mg  Mg5  1  0.500  0.000  0.277  1.0
  Mg  Mg6  1  0.500  0.000  0.723  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.289  1.0
  O  O9  1  0.000  0.000  0.711  1.0
  O  O10  1  0.500  0.500  0.266  1.0
  O  O11  1  0.500  0.500  0.734  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by CsMg6GaO8 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 Ga(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 Ga(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 Ga(1)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Ga(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)Cs2Mg2Ga2 octahedra, edges with four equivalent O(2)Mg5Ga 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 Ga(1) atom to form OMg5Ga octahedra that share corners with six equivalent O(2)Mg5Ga octahedra, edges with four equivalent O(3)Cs2Mg2Ga2 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 0-5°. In the third O site, O(3) is bonded to two equivalent Cs(1), two equivalent Mg(3), and two equivalent Ga(1) atoms to form OCs2Mg2Ga2 octahedra that share corners with two equivalent O(4)Mg6 octahedra, corners with four equivalent O(3)Cs2Mg2Ga2 octahedra, edges with four equivalent O(3)Cs2Mg2Ga2 octahedra, edges with four equivalent O(1)CsMg5 octahedra, and edges with four equivalent O(2)Mg5Ga 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)Cs2Mg2Ga2 octahedra, corners with four equivalent O(4)Mg6 octahedra, edges with four equivalent O(1)CsMg5 octahedra, edges with four equivalent O(2)Mg5Ga octahedra, and edges with four equivalent O(4)Mg6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_CsMg6GaO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.567
_cell_length_b   4.567
_cell_length_c   9.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.600
_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  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.000  0.500  0.277  1.0
  Mg  Mg4  1  0.000  0.500  0.723  1.0
  Mg  Mg5  1  0.500  0.000  0.277  1.0
  Mg  Mg6  1  0.500  0.000  0.723  1.0
  Ga  Ga7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.289  1.0
  O  O9  1  0.000  0.000  0.711  1.0
  O  O10  1  0.500  0.500  0.266  1.0
  O  O11  1  0.500  0.500  0.734  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.500  0.000  0.500  1.0
[/CIF]
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