The material described by NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Ce(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_NaCe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   6.949
_cell_angle_alpha   134.375
_cell_angle_beta   134.375
_cell_angle_gamma   66.503
_symmetry_Int_Tables_number   1
_cell_volume   168.743
_cell_formula_units_Z   1
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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.401  0.523  0.601  1.0
  O  O5  1  0.922  0.800  0.399  1.0
  O  O6  1  0.068  0.157  0.391  1.0
  O  O7  1  0.766  0.677  0.609  1.0
  O  O8  1  0.843  0.234  0.911  1.0
  O  O9  1  0.323  0.932  0.089  1.0
  O  O10  1  0.200  0.599  0.121  1.0
  O  O11  1  0.477  0.078  0.879  1.0
[/CIF]
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The material described by NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Ce(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_NaCe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   6.949
_cell_angle_alpha   134.375
_cell_angle_beta   134.375
_cell_angle_gamma   66.503
_symmetry_Int_Tables_number   1
_cell_volume   168.743
_cell_formula_units_Z   1
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
  Na  Na0  1  0.750  0.250  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Mo  Mo2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.401  0.523  0.601  1.0
  O  O5  1  0.922  0.800  0.399  1.0
  O  O6  1  0.068  0.157  0.391  1.0
  O  O7  1  0.766  0.677  0.609  1.0
  O  O8  1  0.843  0.234  0.911  1.0
  O  O9  1  0.323  0.932  0.089  1.0
  O  O10  1  0.200  0.599  0.121  1.0
  O  O11  1  0.477  0.078  0.879  1.0
[/CIF]
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