The material described by RbMgMoO3 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to two equivalent Mg(1) and four equivalent O(1) atoms to form distorted RbMg2O4 octahedra that share corners with six equivalent Rb(1)Mg2O4 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with four equivalent Rb(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and four equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and corners with eight equivalent Rb(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Rb(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing ORb4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_RbMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   4.206
_cell_length_c   4.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.566
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by RbMgMoO3 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded to two equivalent Mg(1) and four equivalent O(1) atoms to form distorted RbMg2O4 octahedra that share corners with six equivalent Rb(1)Mg2O4 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with four equivalent Rb(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and four equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and corners with eight equivalent Rb(1)Mg2O4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Rb(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing ORb4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_RbMgMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   4.206
_cell_length_c   4.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   90.566
_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  0.500  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.500  0.500  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
[/CIF]
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