The material described by Na2Mo3O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(6), one O(9), two equivalent O(10), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(13), one O(5), one O(9), and two equivalent O(4) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(8), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and two equivalent O(7) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(3) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Na(2) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(2) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Na(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and two equivalent Mo(3) atoms. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Na(1) and one Na(2) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to two equivalent Na(1) atoms. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Na(2) atom. is represented by the CIF card [CIF]
data_Na2Mo3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.734
_cell_length_b   8.734
_cell_length_c   10.990
_cell_angle_alpha   58.952
_cell_angle_beta   58.952
_cell_angle_gamma   25.222
_symmetry_Int_Tables_number   1
_cell_volume   303.289
_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  0.198  0.198  0.260  1.0
  Na  Na1  1  0.805  0.805  0.712  1.0
  Mo  Mo2  1  0.904  0.904  0.967  1.0
  Mo  Mo3  1  0.112  0.112  0.985  1.0
  Mo  Mo4  1  0.430  0.430  0.229  1.0
  O  O5  1  0.415  0.415  0.007  1.0
  O  O6  1  0.573  0.573  0.024  1.0
  O  O7  1  0.791  0.791  0.124  1.0
  O  O8  1  0.224  0.224  0.831  1.0
  O  O9  1  0.889  0.889  0.823  1.0
  O  O10  1  0.131  0.131  0.127  1.0
  O  O11  1  0.950  0.950  0.170  1.0
  O  O12  1  0.040  0.040  0.885  1.0
  O  O13  1  0.012  0.012  0.495  1.0
  O  O14  1  0.596  0.596  0.421  1.0
  O  O15  1  0.462  0.462  0.352  1.0
  O  O16  1  0.310  0.310  0.334  1.0
  O  O17  1  0.658  0.658  0.682  1.0
[/CIF]
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The material described by Na2Mo3O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(12), one O(6), one O(9), two equivalent O(10), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(13), one O(5), one O(9), and two equivalent O(4) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(8), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), and two equivalent O(7) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(3) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Na(2) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(2) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Na(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and two equivalent Mo(3) atoms. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Na(1) and one Na(2) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to two equivalent Na(1) atoms. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Na(2) atom. is represented by the CIF card [CIF]
data_Na2Mo3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.734
_cell_length_b   8.734
_cell_length_c   10.990
_cell_angle_alpha   58.952
_cell_angle_beta   58.952
_cell_angle_gamma   25.222
_symmetry_Int_Tables_number   1
_cell_volume   303.289
_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  0.198  0.198  0.260  1.0
  Na  Na1  1  0.805  0.805  0.712  1.0
  Mo  Mo2  1  0.904  0.904  0.967  1.0
  Mo  Mo3  1  0.112  0.112  0.985  1.0
  Mo  Mo4  1  0.430  0.430  0.229  1.0
  O  O5  1  0.415  0.415  0.007  1.0
  O  O6  1  0.573  0.573  0.024  1.0
  O  O7  1  0.791  0.791  0.124  1.0
  O  O8  1  0.224  0.224  0.831  1.0
  O  O9  1  0.889  0.889  0.823  1.0
  O  O10  1  0.131  0.131  0.127  1.0
  O  O11  1  0.950  0.950  0.170  1.0
  O  O12  1  0.040  0.040  0.885  1.0
  O  O13  1  0.012  0.012  0.495  1.0
  O  O14  1  0.596  0.596  0.421  1.0
  O  O15  1  0.462  0.462  0.352  1.0
  O  O16  1  0.310  0.310  0.334  1.0
  O  O17  1  0.658  0.658  0.682  1.0
[/CIF]
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