The material described by Cs2Mo3O10 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), three equivalent O(1), and three equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Cs2Mo3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.425
_cell_length_b   8.425
_cell_length_c   9.487
_cell_angle_alpha   83.730
_cell_angle_beta   83.730
_cell_angle_gamma   60.461
_symmetry_Int_Tables_number   1
_cell_volume   581.088
_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  0.243  0.400  0.661  1.0
  Cs  Cs1  1  0.600  0.757  0.839  1.0
  Cs  Cs2  1  0.757  0.600  0.339  1.0
  Cs  Cs3  1  0.400  0.243  0.161  1.0
  Mo  Mo4  1  0.729  0.271  0.750  1.0
  Mo  Mo5  1  0.271  0.729  0.250  1.0
  Mo  Mo6  1  0.037  0.173  0.976  1.0
  Mo  Mo7  1  0.827  0.963  0.524  1.0
  Mo  Mo8  1  0.963  0.827  0.024  1.0
  Mo  Mo9  1  0.173  0.037  0.476  1.0
  O  O10  1  0.650  0.444  0.620  1.0
  O  O11  1  0.556  0.350  0.880  1.0
  O  O12  1  0.350  0.556  0.380  1.0
  O  O13  1  0.444  0.650  0.120  1.0
  O  O14  1  0.906  0.326  0.816  1.0
  O  O15  1  0.674  0.094  0.684  1.0
  O  O16  1  0.094  0.674  0.184  1.0
  O  O17  1  0.326  0.906  0.316  1.0
  O  O18  1  0.906  0.046  0.904  1.0
  O  O19  1  0.954  0.094  0.596  1.0
  O  O20  1  0.094  0.954  0.096  1.0
  O  O21  1  0.046  0.906  0.404  1.0
  O  O22  1  0.952  0.329  0.103  1.0
  O  O23  1  0.671  0.048  0.397  1.0
  O  O24  1  0.048  0.671  0.897  1.0
  O  O25  1  0.329  0.952  0.603  1.0
  O  O26  1  0.255  0.132  0.922  1.0
  O  O27  1  0.868  0.745  0.578  1.0
  O  O28  1  0.745  0.868  0.078  1.0
  O  O29  1  0.132  0.255  0.422  1.0
[/CIF]
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The material described by Cs2Mo3O10 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), three equivalent O(1), and three equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(3) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Cs2Mo3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.425
_cell_length_b   8.425
_cell_length_c   9.487
_cell_angle_alpha   83.730
_cell_angle_beta   83.730
_cell_angle_gamma   60.461
_symmetry_Int_Tables_number   1
_cell_volume   581.088
_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  0.243  0.400  0.661  1.0
  Cs  Cs1  1  0.600  0.757  0.839  1.0
  Cs  Cs2  1  0.757  0.600  0.339  1.0
  Cs  Cs3  1  0.400  0.243  0.161  1.0
  Mo  Mo4  1  0.729  0.271  0.750  1.0
  Mo  Mo5  1  0.271  0.729  0.250  1.0
  Mo  Mo6  1  0.037  0.173  0.976  1.0
  Mo  Mo7  1  0.827  0.963  0.524  1.0
  Mo  Mo8  1  0.963  0.827  0.024  1.0
  Mo  Mo9  1  0.173  0.037  0.476  1.0
  O  O10  1  0.650  0.444  0.620  1.0
  O  O11  1  0.556  0.350  0.880  1.0
  O  O12  1  0.350  0.556  0.380  1.0
  O  O13  1  0.444  0.650  0.120  1.0
  O  O14  1  0.906  0.326  0.816  1.0
  O  O15  1  0.674  0.094  0.684  1.0
  O  O16  1  0.094  0.674  0.184  1.0
  O  O17  1  0.326  0.906  0.316  1.0
  O  O18  1  0.906  0.046  0.904  1.0
  O  O19  1  0.954  0.094  0.596  1.0
  O  O20  1  0.094  0.954  0.096  1.0
  O  O21  1  0.046  0.906  0.404  1.0
  O  O22  1  0.952  0.329  0.103  1.0
  O  O23  1  0.671  0.048  0.397  1.0
  O  O24  1  0.048  0.671  0.897  1.0
  O  O25  1  0.329  0.952  0.603  1.0
  O  O26  1  0.255  0.132  0.922  1.0
  O  O27  1  0.868  0.745  0.578  1.0
  O  O28  1  0.745  0.868  0.078  1.0
  O  O29  1  0.132  0.255  0.422  1.0
[/CIF]
.