The structure described by NaFe(MoO4)2 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_NaFe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.393
_cell_length_b   5.690
_cell_length_c   14.002
_cell_angle_alpha   90.017
_cell_angle_beta   89.994
_cell_angle_gamma   118.293
_symmetry_Int_Tables_number   1
_cell_volume   378.407
_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
  Na  Na0  1  0.927  1.000  0.250  1.0
  Na  Na1  1  0.073  0.000  0.750  1.0
  Fe  Fe2  1  0.000  1.000  1.000  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.707  0.348  0.618  1.0
  Mo  Mo5  1  0.359  0.652  0.882  1.0
  Mo  Mo6  1  0.293  0.652  0.382  1.0
  Mo  Mo7  1  0.641  0.348  0.118  1.0
  O  O8  1  0.589  0.801  0.461  1.0
  O  O9  1  0.789  0.199  0.039  1.0
  O  O10  1  0.411  0.200  0.539  1.0
  O  O11  1  0.211  0.800  0.961  1.0
  O  O12  1  0.060  0.306  0.415  1.0
  O  O13  1  0.754  0.694  0.085  1.0
  O  O14  1  0.940  0.694  0.585  1.0
  O  O15  1  0.246  0.306  0.915  1.0
  O  O16  1  0.102  0.846  0.385  1.0
  O  O17  1  0.256  0.154  0.115  1.0
  O  O18  1  0.898  0.154  0.616  1.0
  O  O19  1  0.744  0.846  0.884  1.0
  O  O20  1  0.428  0.667  0.268  1.0
  O  O21  1  0.761  0.333  0.232  1.0
  O  O22  1  0.572  0.333  0.732  1.0
  O  O23  1  0.239  0.667  0.768  1.0
[/CIF]
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The structure described by NaFe(MoO4)2 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_NaFe(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.393
_cell_length_b   5.690
_cell_length_c   14.002
_cell_angle_alpha   90.017
_cell_angle_beta   89.994
_cell_angle_gamma   118.293
_symmetry_Int_Tables_number   1
_cell_volume   378.407
_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
  Na  Na0  1  0.927  1.000  0.250  1.0
  Na  Na1  1  0.073  0.000  0.750  1.0
  Fe  Fe2  1  0.000  1.000  1.000  1.0
  Fe  Fe3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.707  0.348  0.618  1.0
  Mo  Mo5  1  0.359  0.652  0.882  1.0
  Mo  Mo6  1  0.293  0.652  0.382  1.0
  Mo  Mo7  1  0.641  0.348  0.118  1.0
  O  O8  1  0.589  0.801  0.461  1.0
  O  O9  1  0.789  0.199  0.039  1.0
  O  O10  1  0.411  0.200  0.539  1.0
  O  O11  1  0.211  0.800  0.961  1.0
  O  O12  1  0.060  0.306  0.415  1.0
  O  O13  1  0.754  0.694  0.085  1.0
  O  O14  1  0.940  0.694  0.585  1.0
  O  O15  1  0.246  0.306  0.915  1.0
  O  O16  1  0.102  0.846  0.385  1.0
  O  O17  1  0.256  0.154  0.115  1.0
  O  O18  1  0.898  0.154  0.616  1.0
  O  O19  1  0.744  0.846  0.884  1.0
  O  O20  1  0.428  0.667  0.268  1.0
  O  O21  1  0.761  0.333  0.232  1.0
  O  O22  1  0.572  0.333  0.732  1.0
  O  O23  1  0.239  0.667  0.768  1.0
[/CIF]
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