The compound described by Na2Hf(MoO4)3 is Zircon-derived structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Hf(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one Mo(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one Mo(2) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Mo(2) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Mo(2) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Hf(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Hf(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   10.114
_cell_length_c   10.114
_cell_angle_alpha   68.870
_cell_angle_beta   79.846
_cell_angle_gamma   79.846
_symmetry_Int_Tables_number   1
_cell_volume   474.179
_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  0.091  0.040  0.286  1.0
  Na  Na1  1  0.909  0.960  0.714  1.0
  Na  Na2  1  0.409  0.714  0.960  1.0
  Na  Na3  1  0.591  0.286  0.040  1.0
  Hf  Hf4  1  0.250  0.624  0.376  1.0
  Hf  Hf5  1  0.750  0.376  0.624  1.0
  Mo  Mo6  1  0.250  0.144  0.856  1.0
  Mo  Mo7  1  0.750  0.856  0.144  1.0
  Mo  Mo8  1  0.380  0.234  0.446  1.0
  Mo  Mo9  1  0.620  0.766  0.554  1.0
  Mo  Mo10  1  0.120  0.554  0.766  1.0
  Mo  Mo11  1  0.880  0.446  0.234  1.0
  O  O12  1  0.116  0.390  0.472  1.0
  O  O13  1  0.884  0.610  0.528  1.0
  O  O14  1  0.384  0.528  0.610  1.0
  O  O15  1  0.616  0.472  0.390  1.0
  O  O16  1  0.016  0.186  0.721  1.0
  O  O17  1  0.984  0.814  0.279  1.0
  O  O18  1  0.484  0.279  0.814  1.0
  O  O19  1  0.516  0.721  0.186  1.0
  O  O20  1  0.439  0.978  0.864  1.0
  O  O21  1  0.561  0.022  0.136  1.0
  O  O22  1  0.061  0.136  0.022  1.0
  O  O23  1  0.939  0.864  0.978  1.0
  O  O24  1  0.404  0.788  0.418  1.0
  O  O25  1  0.596  0.212  0.582  1.0
  O  O26  1  0.096  0.582  0.212  1.0
  O  O27  1  0.904  0.418  0.788  1.0
  O  O28  1  0.246  0.074  0.495  1.0
  O  O29  1  0.754  0.926  0.505  1.0
  O  O30  1  0.254  0.505  0.926  1.0
  O  O31  1  0.746  0.495  0.074  1.0
  O  O32  1  0.369  0.748  0.707  1.0
  O  O33  1  0.631  0.252  0.293  1.0
  O  O34  1  0.131  0.293  0.252  1.0
  O  O35  1  0.869  0.707  0.748  1.0
[/CIF]
.
The compound described by Na2Hf(MoO4)3 is Zircon-derived structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Hf(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one Mo(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one Mo(2) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Mo(2) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Mo(2) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Hf(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Hf(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   10.114
_cell_length_c   10.114
_cell_angle_alpha   68.870
_cell_angle_beta   79.846
_cell_angle_gamma   79.846
_symmetry_Int_Tables_number   1
_cell_volume   474.179
_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  0.091  0.040  0.286  1.0
  Na  Na1  1  0.909  0.960  0.714  1.0
  Na  Na2  1  0.409  0.714  0.960  1.0
  Na  Na3  1  0.591  0.286  0.040  1.0
  Hf  Hf4  1  0.250  0.624  0.376  1.0
  Hf  Hf5  1  0.750  0.376  0.624  1.0
  Mo  Mo6  1  0.250  0.144  0.856  1.0
  Mo  Mo7  1  0.750  0.856  0.144  1.0
  Mo  Mo8  1  0.380  0.234  0.446  1.0
  Mo  Mo9  1  0.620  0.766  0.554  1.0
  Mo  Mo10  1  0.120  0.554  0.766  1.0
  Mo  Mo11  1  0.880  0.446  0.234  1.0
  O  O12  1  0.116  0.390  0.472  1.0
  O  O13  1  0.884  0.610  0.528  1.0
  O  O14  1  0.384  0.528  0.610  1.0
  O  O15  1  0.616  0.472  0.390  1.0
  O  O16  1  0.016  0.186  0.721  1.0
  O  O17  1  0.984  0.814  0.279  1.0
  O  O18  1  0.484  0.279  0.814  1.0
  O  O19  1  0.516  0.721  0.186  1.0
  O  O20  1  0.439  0.978  0.864  1.0
  O  O21  1  0.561  0.022  0.136  1.0
  O  O22  1  0.061  0.136  0.022  1.0
  O  O23  1  0.939  0.864  0.978  1.0
  O  O24  1  0.404  0.788  0.418  1.0
  O  O25  1  0.596  0.212  0.582  1.0
  O  O26  1  0.096  0.582  0.212  1.0
  O  O27  1  0.904  0.418  0.788  1.0
  O  O28  1  0.246  0.074  0.495  1.0
  O  O29  1  0.754  0.926  0.505  1.0
  O  O30  1  0.254  0.505  0.926  1.0
  O  O31  1  0.746  0.495  0.074  1.0
  O  O32  1  0.369  0.748  0.707  1.0
  O  O33  1  0.631  0.252  0.293  1.0
  O  O34  1  0.131  0.293  0.252  1.0
  O  O35  1  0.869  0.707  0.748  1.0
[/CIF]
.