The material described by Cs2Mg(MoO6)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one Mg(1) atom. is represented by the CIF file [CIF]
data_Cs2Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   9.194
_cell_length_c   12.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.836
_symmetry_Int_Tables_number   1
_cell_volume   678.416
_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
  Cs  Cs0  1  0.676  0.446  0.315  1.0
  Cs  Cs1  1  0.824  0.054  0.815  1.0
  Cs  Cs2  1  0.324  0.554  0.685  1.0
  Cs  Cs3  1  0.176  0.946  0.185  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mg  Mg5  1  0.000  0.500  0.000  1.0
  Mo  Mo6  1  0.105  0.233  0.462  1.0
  Mo  Mo7  1  0.395  0.267  0.962  1.0
  Mo  Mo8  1  0.895  0.767  0.538  1.0
  Mo  Mo9  1  0.605  0.733  0.038  1.0
  O  O10  1  0.234  0.426  0.439  1.0
  O  O11  1  0.266  0.074  0.939  1.0
  O  O12  1  0.766  0.574  0.561  1.0
  O  O13  1  0.734  0.926  0.061  1.0
  O  O14  1  0.315  0.136  0.438  1.0
  O  O15  1  0.185  0.364  0.938  1.0
  O  O16  1  0.685  0.864  0.562  1.0
  O  O17  1  0.815  0.636  0.062  1.0
  O  O18  1  0.943  0.793  0.392  1.0
  O  O19  1  0.557  0.707  0.892  1.0
  O  O20  1  0.057  0.207  0.608  1.0
  O  O21  1  0.443  0.293  0.108  1.0
  O  O22  1  0.899  0.153  0.345  1.0
  O  O23  1  0.601  0.347  0.845  1.0
  O  O24  1  0.101  0.847  0.655  1.0
  O  O25  1  0.399  0.653  0.155  1.0
  O  O26  1  0.236  0.790  0.502  1.0
  O  O27  1  0.264  0.710  0.002  1.0
  O  O28  1  0.764  0.210  0.498  1.0
  O  O29  1  0.736  0.290  0.998  1.0
  O  O30  1  0.594  0.983  0.337  1.0
  O  O31  1  0.906  0.517  0.837  1.0
  O  O32  1  0.406  0.017  0.663  1.0
  O  O33  1  0.094  0.483  0.163  1.0
[/CIF]
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The material described by Cs2Mg(MoO6)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one Mg(1) atom. is represented by the CIF file [CIF]
data_Cs2Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   9.194
_cell_length_c   12.409
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.836
_symmetry_Int_Tables_number   1
_cell_volume   678.416
_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
  Cs  Cs0  1  0.676  0.446  0.315  1.0
  Cs  Cs1  1  0.824  0.054  0.815  1.0
  Cs  Cs2  1  0.324  0.554  0.685  1.0
  Cs  Cs3  1  0.176  0.946  0.185  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Mg  Mg5  1  0.000  0.500  0.000  1.0
  Mo  Mo6  1  0.105  0.233  0.462  1.0
  Mo  Mo7  1  0.395  0.267  0.962  1.0
  Mo  Mo8  1  0.895  0.767  0.538  1.0
  Mo  Mo9  1  0.605  0.733  0.038  1.0
  O  O10  1  0.234  0.426  0.439  1.0
  O  O11  1  0.266  0.074  0.939  1.0
  O  O12  1  0.766  0.574  0.561  1.0
  O  O13  1  0.734  0.926  0.061  1.0
  O  O14  1  0.315  0.136  0.438  1.0
  O  O15  1  0.185  0.364  0.938  1.0
  O  O16  1  0.685  0.864  0.562  1.0
  O  O17  1  0.815  0.636  0.062  1.0
  O  O18  1  0.943  0.793  0.392  1.0
  O  O19  1  0.557  0.707  0.892  1.0
  O  O20  1  0.057  0.207  0.608  1.0
  O  O21  1  0.443  0.293  0.108  1.0
  O  O22  1  0.899  0.153  0.345  1.0
  O  O23  1  0.601  0.347  0.845  1.0
  O  O24  1  0.101  0.847  0.655  1.0
  O  O25  1  0.399  0.653  0.155  1.0
  O  O26  1  0.236  0.790  0.502  1.0
  O  O27  1  0.264  0.710  0.002  1.0
  O  O28  1  0.764  0.210  0.498  1.0
  O  O29  1  0.736  0.290  0.998  1.0
  O  O30  1  0.594  0.983  0.337  1.0
  O  O31  1  0.906  0.517  0.837  1.0
  O  O32  1  0.406  0.017  0.663  1.0
  O  O33  1  0.094  0.483  0.163  1.0
[/CIF]
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