The crystal structure described by Cs4Fe(MoO4)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), three equivalent O(7), and three equivalent O(9) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and corners with three equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to three equivalent Cs(1), one Mo(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(3), three equivalent Cs(1), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs4Fe(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.386
_cell_length_c   24.815
_cell_angle_alpha   89.871
_cell_angle_beta   89.871
_cell_angle_gamma   120.070
_symmetry_Int_Tables_number   1
_cell_volume   875.858
_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  0.333  0.666  0.159  1.0
  Cs  Cs1  1  0.333  0.666  0.338  1.0
  Cs  Cs2  1  0.666  0.333  0.659  1.0
  Cs  Cs3  1  0.666  0.333  0.838  1.0
  Cs  Cs4  1  0.667  0.333  0.032  1.0
  Cs  Cs5  1  0.667  0.333  0.471  1.0
  Cs  Cs6  1  0.333  0.667  0.532  1.0
  Cs  Cs7  1  0.333  0.667  0.971  1.0
  Fe  Fe8  1  0.008  0.003  0.251  1.0
  Fe  Fe9  1  0.003  0.008  0.751  1.0
  Mo  Mo10  1  0.999  1.000  0.094  1.0
  Mo  Mo11  1  0.000  1.000  0.406  1.0
  Mo  Mo12  1  1.000  0.999  0.594  1.0
  Mo  Mo13  1  1.000  0.000  0.906  1.0
  Mo  Mo14  1  0.666  0.333  0.229  1.0
  Mo  Mo15  1  0.333  0.666  0.729  1.0
  O  O16  1  0.149  0.845  0.069  1.0
  O  O17  1  0.155  0.304  0.069  1.0
  O  O18  1  0.696  0.852  0.069  1.0
  O  O19  1  0.149  0.844  0.430  1.0
  O  O20  1  0.156  0.305  0.430  1.0
  O  O21  1  0.694  0.851  0.430  1.0
  O  O22  1  0.845  0.149  0.569  1.0
  O  O23  1  0.304  0.155  0.569  1.0
  O  O24  1  0.852  0.696  0.569  1.0
  O  O25  1  0.844  0.149  0.930  1.0
  O  O26  1  0.305  0.156  0.930  1.0
  O  O27  1  0.851  0.694  0.930  1.0
  O  O28  1  0.997  1.000  0.168  1.0
  O  O29  1  0.002  0.000  0.333  1.0
  O  O30  1  1.000  0.997  0.668  1.0
  O  O31  1  0.000  0.002  0.833  1.0
  O  O32  1  0.666  0.333  0.157  1.0
  O  O33  1  0.333  0.666  0.657  1.0
  O  O34  1  0.372  0.093  0.252  1.0
  O  O35  1  0.904  0.280  0.251  1.0
  O  O36  1  0.719  0.625  0.252  1.0
  O  O37  1  0.093  0.372  0.752  1.0
  O  O38  1  0.280  0.904  0.751  1.0
  O  O39  1  0.625  0.719  0.752  1.0
[/CIF]
.
The crystal structure described by Cs4Fe(MoO4)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), three equivalent O(7), and three equivalent O(9) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O5 trigonal bipyramid. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and corners with three equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(4), two equivalent Cs(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), two equivalent Cs(4), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to three equivalent Cs(1), one Mo(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(3), three equivalent Cs(1), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Mo(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs4Fe(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.386
_cell_length_c   24.815
_cell_angle_alpha   89.871
_cell_angle_beta   89.871
_cell_angle_gamma   120.070
_symmetry_Int_Tables_number   1
_cell_volume   875.858
_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  0.333  0.666  0.159  1.0
  Cs  Cs1  1  0.333  0.666  0.338  1.0
  Cs  Cs2  1  0.666  0.333  0.659  1.0
  Cs  Cs3  1  0.666  0.333  0.838  1.0
  Cs  Cs4  1  0.667  0.333  0.032  1.0
  Cs  Cs5  1  0.667  0.333  0.471  1.0
  Cs  Cs6  1  0.333  0.667  0.532  1.0
  Cs  Cs7  1  0.333  0.667  0.971  1.0
  Fe  Fe8  1  0.008  0.003  0.251  1.0
  Fe  Fe9  1  0.003  0.008  0.751  1.0
  Mo  Mo10  1  0.999  1.000  0.094  1.0
  Mo  Mo11  1  0.000  1.000  0.406  1.0
  Mo  Mo12  1  1.000  0.999  0.594  1.0
  Mo  Mo13  1  1.000  0.000  0.906  1.0
  Mo  Mo14  1  0.666  0.333  0.229  1.0
  Mo  Mo15  1  0.333  0.666  0.729  1.0
  O  O16  1  0.149  0.845  0.069  1.0
  O  O17  1  0.155  0.304  0.069  1.0
  O  O18  1  0.696  0.852  0.069  1.0
  O  O19  1  0.149  0.844  0.430  1.0
  O  O20  1  0.156  0.305  0.430  1.0
  O  O21  1  0.694  0.851  0.430  1.0
  O  O22  1  0.845  0.149  0.569  1.0
  O  O23  1  0.304  0.155  0.569  1.0
  O  O24  1  0.852  0.696  0.569  1.0
  O  O25  1  0.844  0.149  0.930  1.0
  O  O26  1  0.305  0.156  0.930  1.0
  O  O27  1  0.851  0.694  0.930  1.0
  O  O28  1  0.997  1.000  0.168  1.0
  O  O29  1  0.002  0.000  0.333  1.0
  O  O30  1  1.000  0.997  0.668  1.0
  O  O31  1  0.000  0.002  0.833  1.0
  O  O32  1  0.666  0.333  0.157  1.0
  O  O33  1  0.333  0.666  0.657  1.0
  O  O34  1  0.372  0.093  0.252  1.0
  O  O35  1  0.904  0.280  0.251  1.0
  O  O36  1  0.719  0.625  0.252  1.0
  O  O37  1  0.093  0.372  0.752  1.0
  O  O38  1  0.280  0.904  0.751  1.0
  O  O39  1  0.625  0.719  0.752  1.0
[/CIF]
.