The material structure described by Na2Mo3Te3O16 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-70°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-70°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(7) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Mo(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mo(1), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Te3Mo3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.796
_cell_length_b   7.796
_cell_length_c   7.491
_cell_angle_alpha   65.414
_cell_angle_beta   65.414
_cell_angle_gamma   95.404
_symmetry_Int_Tables_number   1
_cell_volume   356.279
_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  0.933  0.067  0.500  1.0
  Na  Na1  1  0.517  0.483  0.000  1.0
  Te  Te2  1  0.013  0.987  0.000  1.0
  Te  Te3  1  0.950  0.608  0.501  1.0
  Te  Te4  1  0.392  0.050  0.499  1.0
  Mo  Mo5  1  0.032  0.514  0.974  1.0
  Mo  Mo6  1  0.486  0.968  0.026  1.0
  Mo  Mo7  1  0.419  0.581  0.500  1.0
  O  O8  1  0.591  0.845  0.236  1.0
  O  O9  1  0.558  0.831  0.887  1.0
  O  O10  1  0.155  0.409  0.764  1.0
  O  O11  1  0.169  0.442  0.113  1.0
  O  O12  1  0.691  0.187  0.835  1.0
  O  O13  1  0.296  0.761  0.661  1.0
  O  O14  1  0.567  0.540  0.630  1.0
  O  O15  1  0.239  0.704  0.339  1.0
  O  O16  1  0.289  0.039  0.929  1.0
  O  O17  1  0.813  0.309  0.165  1.0
  O  O18  1  0.961  0.711  0.071  1.0
  O  O19  1  0.934  0.869  0.339  1.0
  O  O20  1  0.131  0.066  0.661  1.0
  O  O21  1  0.460  0.433  0.370  1.0
  O  O22  1  0.893  0.634  0.757  1.0
  O  O23  1  0.366  0.107  0.243  1.0
[/CIF]
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The material structure described by Na2Mo3Te3O16 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-70°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-70°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(7) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Mo(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Mo(2), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Te(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(2), one Mo(1), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Te3Mo3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.796
_cell_length_b   7.796
_cell_length_c   7.491
_cell_angle_alpha   65.414
_cell_angle_beta   65.414
_cell_angle_gamma   95.404
_symmetry_Int_Tables_number   1
_cell_volume   356.279
_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  0.933  0.067  0.500  1.0
  Na  Na1  1  0.517  0.483  0.000  1.0
  Te  Te2  1  0.013  0.987  0.000  1.0
  Te  Te3  1  0.950  0.608  0.501  1.0
  Te  Te4  1  0.392  0.050  0.499  1.0
  Mo  Mo5  1  0.032  0.514  0.974  1.0
  Mo  Mo6  1  0.486  0.968  0.026  1.0
  Mo  Mo7  1  0.419  0.581  0.500  1.0
  O  O8  1  0.591  0.845  0.236  1.0
  O  O9  1  0.558  0.831  0.887  1.0
  O  O10  1  0.155  0.409  0.764  1.0
  O  O11  1  0.169  0.442  0.113  1.0
  O  O12  1  0.691  0.187  0.835  1.0
  O  O13  1  0.296  0.761  0.661  1.0
  O  O14  1  0.567  0.540  0.630  1.0
  O  O15  1  0.239  0.704  0.339  1.0
  O  O16  1  0.289  0.039  0.929  1.0
  O  O17  1  0.813  0.309  0.165  1.0
  O  O18  1  0.961  0.711  0.071  1.0
  O  O19  1  0.934  0.869  0.339  1.0
  O  O20  1  0.131  0.066  0.661  1.0
  O  O21  1  0.460  0.433  0.370  1.0
  O  O22  1  0.893  0.634  0.757  1.0
  O  O23  1  0.366  0.107  0.243  1.0
[/CIF]
.