The material structure described by Cs2MoO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(2), three equivalent O(1), and four equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   8.740
_cell_length_c   13.270
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   743.897
_cell_formula_units_Z   4
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  0.250  0.479  0.845  1.0
  Cs  Cs1  1  0.750  0.979  0.655  1.0
  Cs  Cs2  1  0.250  0.021  0.345  1.0
  Cs  Cs3  1  0.750  0.521  0.155  1.0
  Cs  Cs4  1  0.250  0.830  0.068  1.0
  Cs  Cs5  1  0.750  0.330  0.432  1.0
  Cs  Cs6  1  0.250  0.670  0.568  1.0
  Cs  Cs7  1  0.750  0.170  0.932  1.0
  Mo  Mo8  1  0.250  0.275  0.107  1.0
  Mo  Mo9  1  0.750  0.775  0.393  1.0
  Mo  Mo10  1  0.250  0.225  0.607  1.0
  Mo  Mo11  1  0.750  0.725  0.893  1.0
  O  O12  1  0.250  0.481  0.089  1.0
  O  O13  1  0.750  0.981  0.411  1.0
  O  O14  1  0.250  0.019  0.589  1.0
  O  O15  1  0.750  0.519  0.911  1.0
  O  O16  1  0.250  0.185  0.984  1.0
  O  O17  1  0.750  0.685  0.516  1.0
  O  O18  1  0.250  0.315  0.484  1.0
  O  O19  1  0.750  0.815  0.016  1.0
  O  O20  1  0.978  0.786  0.826  1.0
  O  O21  1  0.022  0.286  0.674  1.0
  O  O22  1  0.522  0.714  0.326  1.0
  O  O23  1  0.478  0.214  0.174  1.0
  O  O24  1  0.022  0.214  0.174  1.0
  O  O25  1  0.978  0.714  0.326  1.0
  O  O26  1  0.478  0.286  0.674  1.0
  O  O27  1  0.522  0.786  0.826  1.0
[/CIF]
.
The material structure described by Cs2MoO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(2), three equivalent O(1), and four equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.414
_cell_length_b   8.740
_cell_length_c   13.270
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   743.897
_cell_formula_units_Z   4
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  0.250  0.479  0.845  1.0
  Cs  Cs1  1  0.750  0.979  0.655  1.0
  Cs  Cs2  1  0.250  0.021  0.345  1.0
  Cs  Cs3  1  0.750  0.521  0.155  1.0
  Cs  Cs4  1  0.250  0.830  0.068  1.0
  Cs  Cs5  1  0.750  0.330  0.432  1.0
  Cs  Cs6  1  0.250  0.670  0.568  1.0
  Cs  Cs7  1  0.750  0.170  0.932  1.0
  Mo  Mo8  1  0.250  0.275  0.107  1.0
  Mo  Mo9  1  0.750  0.775  0.393  1.0
  Mo  Mo10  1  0.250  0.225  0.607  1.0
  Mo  Mo11  1  0.750  0.725  0.893  1.0
  O  O12  1  0.250  0.481  0.089  1.0
  O  O13  1  0.750  0.981  0.411  1.0
  O  O14  1  0.250  0.019  0.589  1.0
  O  O15  1  0.750  0.519  0.911  1.0
  O  O16  1  0.250  0.185  0.984  1.0
  O  O17  1  0.750  0.685  0.516  1.0
  O  O18  1  0.250  0.315  0.484  1.0
  O  O19  1  0.750  0.815  0.016  1.0
  O  O20  1  0.978  0.786  0.826  1.0
  O  O21  1  0.022  0.286  0.674  1.0
  O  O22  1  0.522  0.714  0.326  1.0
  O  O23  1  0.478  0.214  0.174  1.0
  O  O24  1  0.022  0.214  0.174  1.0
  O  O25  1  0.978  0.714  0.326  1.0
  O  O26  1  0.478  0.286  0.674  1.0
  O  O27  1  0.522  0.786  0.826  1.0
[/CIF]
.