The compound described by Na2W4O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(7), two equivalent O(6), and three equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the second W site, W(2) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one W(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(2) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to three equivalent Na(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing ONa3W tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Na2W4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   8.331
_cell_length_c   8.420
_cell_angle_alpha   95.660
_cell_angle_beta   103.087
_cell_angle_gamma   90.407
_symmetry_Int_Tables_number   1
_cell_volume   261.763
_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  0.711  0.688  0.423  1.0
  Na  Na1  1  0.289  0.312  0.577  1.0
  W  W2  1  0.960  0.632  0.825  1.0
  W  W3  1  0.040  0.368  0.175  1.0
  W  W4  1  0.852  0.024  0.803  1.0
  W  W5  1  0.148  0.976  0.197  1.0
  O  O6  1  0.998  0.845  0.996  1.0
  O  O7  1  0.609  0.989  0.187  1.0
  O  O8  1  0.435  0.643  0.842  1.0
  O  O9  1  0.565  0.357  0.158  1.0
  O  O10  1  1.000  0.500  0.000  1.0
  O  O11  1  0.837  0.489  0.653  1.0
  O  O12  1  0.163  0.511  0.347  1.0
  O  O13  1  0.817  0.154  0.650  1.0
  O  O14  1  0.155  0.190  0.310  1.0
  O  O15  1  0.391  0.011  0.813  1.0
  O  O16  1  0.002  0.155  0.004  1.0
  O  O17  1  0.183  0.846  0.350  1.0
  O  O18  1  0.845  0.810  0.690  1.0
[/CIF]
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The compound described by Na2W4O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(7), two equivalent O(6), and three equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the second W site, W(2) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one W(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(2) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to three equivalent Na(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing ONa3W tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_Na2W4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   8.331
_cell_length_c   8.420
_cell_angle_alpha   95.660
_cell_angle_beta   103.087
_cell_angle_gamma   90.407
_symmetry_Int_Tables_number   1
_cell_volume   261.763
_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  0.711  0.688  0.423  1.0
  Na  Na1  1  0.289  0.312  0.577  1.0
  W  W2  1  0.960  0.632  0.825  1.0
  W  W3  1  0.040  0.368  0.175  1.0
  W  W4  1  0.852  0.024  0.803  1.0
  W  W5  1  0.148  0.976  0.197  1.0
  O  O6  1  0.998  0.845  0.996  1.0
  O  O7  1  0.609  0.989  0.187  1.0
  O  O8  1  0.435  0.643  0.842  1.0
  O  O9  1  0.565  0.357  0.158  1.0
  O  O10  1  1.000  0.500  0.000  1.0
  O  O11  1  0.837  0.489  0.653  1.0
  O  O12  1  0.163  0.511  0.347  1.0
  O  O13  1  0.817  0.154  0.650  1.0
  O  O14  1  0.155  0.190  0.310  1.0
  O  O15  1  0.391  0.011  0.813  1.0
  O  O16  1  0.002  0.155  0.004  1.0
  O  O17  1  0.183  0.846  0.350  1.0
  O  O18  1  0.845  0.810  0.690  1.0
[/CIF]
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