The structure described by RbMoOPO4Cl crystallizes in the tetragonal P4/nmm space group. Rb(1) is bonded to four equivalent O(1) and four equivalent Cl(1) atoms to form distorted RbCl4O4 hexagonal bipyramids that share corners with four equivalent Rb(1)Cl4O4 hexagonal bipyramids, edges with four equivalent Rb(1)Cl4O4 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. Mo(1) is bonded in a 6-coordinate geometry to one O(2), four equivalent O(1), and one Cl(1) atom. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share edges with two equivalent Rb(1)Cl4O4 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. Cl(1) is bonded to four equivalent Rb(1) and one Mo(1) atom to form a mixture of edge and corner-sharing ClRb4Mo square pyramids. is represented by the CIF file [CIF]
data_RbMoPClO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.574
_cell_length_c   7.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.061
_cell_formula_units_Z   2
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  0.500  1.0
  Rb  Rb1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.500  0.000  0.091  1.0
  Mo  Mo3  1  0.000  0.500  0.909  1.0
  P  P4  1  0.500  0.500  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.000  0.500  0.567  1.0
  Cl  Cl7  1  0.500  0.000  0.433  1.0
  O  O8  1  0.187  0.000  0.124  1.0
  O  O9  1  0.500  0.313  0.124  1.0
  O  O10  1  0.500  0.000  0.868  1.0
  O  O11  1  0.813  0.000  0.124  1.0
  O  O12  1  0.313  0.500  0.876  1.0
  O  O13  1  0.687  0.500  0.876  1.0
  O  O14  1  0.000  0.187  0.876  1.0
  O  O15  1  0.500  0.687  0.124  1.0
  O  O16  1  0.000  0.500  0.132  1.0
  O  O17  1  0.000  0.813  0.876  1.0
[/CIF]
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The structure described by RbMoOPO4Cl crystallizes in the tetragonal P4/nmm space group. Rb(1) is bonded to four equivalent O(1) and four equivalent Cl(1) atoms to form distorted RbCl4O4 hexagonal bipyramids that share corners with four equivalent Rb(1)Cl4O4 hexagonal bipyramids, edges with four equivalent Rb(1)Cl4O4 hexagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. Mo(1) is bonded in a 6-coordinate geometry to one O(2), four equivalent O(1), and one Cl(1) atom. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share edges with two equivalent Rb(1)Cl4O4 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. Cl(1) is bonded to four equivalent Rb(1) and one Mo(1) atom to form a mixture of edge and corner-sharing ClRb4Mo square pyramids. is represented by the CIF file [CIF]
data_RbMoPClO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.574
_cell_length_b   6.574
_cell_length_c   7.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.061
_cell_formula_units_Z   2
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  0.500  1.0
  Rb  Rb1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.500  0.000  0.091  1.0
  Mo  Mo3  1  0.000  0.500  0.909  1.0
  P  P4  1  0.500  0.500  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.000  0.500  0.567  1.0
  Cl  Cl7  1  0.500  0.000  0.433  1.0
  O  O8  1  0.187  0.000  0.124  1.0
  O  O9  1  0.500  0.313  0.124  1.0
  O  O10  1  0.500  0.000  0.868  1.0
  O  O11  1  0.813  0.000  0.124  1.0
  O  O12  1  0.313  0.500  0.876  1.0
  O  O13  1  0.687  0.500  0.876  1.0
  O  O14  1  0.000  0.187  0.876  1.0
  O  O15  1  0.500  0.687  0.124  1.0
  O  O16  1  0.000  0.500  0.132  1.0
  O  O17  1  0.000  0.813  0.876  1.0
[/CIF]
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