The material structure described by NaEr(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. Er(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 Er(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 Er(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_NaEr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.773
_cell_angle_alpha   134.598
_cell_angle_beta   134.598
_cell_angle_gamma   66.155
_symmetry_Int_Tables_number   1
_cell_volume   155.125
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Mo  Mo2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.444  0.344  0.608  1.0
  O  O5  1  0.736  0.836  0.392  1.0
  O  O6  1  0.579  0.668  0.583  1.0
  O  O7  1  0.084  0.995  0.417  1.0
  O  O8  1  0.332  0.916  0.911  1.0
  O  O9  1  0.005  0.421  0.089  1.0
  O  O10  1  0.164  0.556  0.900  1.0
  O  O11  1  0.656  0.264  0.100  1.0
[/CIF]
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The material structure described by NaEr(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. Er(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 Er(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 Er(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_NaEr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.773
_cell_angle_alpha   134.598
_cell_angle_beta   134.598
_cell_angle_gamma   66.155
_symmetry_Int_Tables_number   1
_cell_volume   155.125
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Mo  Mo2  1  0.500  0.500  0.000  1.0
  Mo  Mo3  1  0.250  0.750  0.500  1.0
  O  O4  1  0.444  0.344  0.608  1.0
  O  O5  1  0.736  0.836  0.392  1.0
  O  O6  1  0.579  0.668  0.583  1.0
  O  O7  1  0.084  0.995  0.417  1.0
  O  O8  1  0.332  0.916  0.911  1.0
  O  O9  1  0.005  0.421  0.089  1.0
  O  O10  1  0.164  0.556  0.900  1.0
  O  O11  1  0.656  0.264  0.100  1.0
[/CIF]
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