The material described by NaMo6Cl13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(3), and one Cl(9) atom. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Cl(1), one Cl(13), one Cl(2), one Cl(3), and one Cl(4) atom to form a mixture of corner and edge-sharing MoCl5 square pyramids. In the second Mo site, Mo(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(9) atom to form edge-sharing MoCl5 square pyramids. In the third Mo site, Mo(3) is bonded to one Cl(1), one Cl(10), one Cl(2), one Cl(3), and one Cl(4) atom to form edge-sharing MoCl5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one Cl(11), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form edge-sharing MoCl5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one Cl(12), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form edge-sharing MoCl5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Cl(13), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form a mixture of corner and edge-sharing MoCl5 square pyramids. There are thirteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the eighth Cl site, Cl(8) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(2) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(3) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(4) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(5) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one Mo(6) atom. is represented by the CIF file [CIF]
data_NaMo6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.020
_cell_length_b   9.140
_cell_length_c   14.089
_cell_angle_alpha   97.026
_cell_angle_beta   101.651
_cell_angle_gamma   114.399
_symmetry_Int_Tables_number   1
_cell_volume   1008.062
_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  0.497  0.754  0.727  1.0
  Na  Na1  1  0.503  0.246  0.273  1.0
  Mo  Mo2  1  0.946  0.014  0.619  1.0
  Mo  Mo3  1  0.054  0.986  0.381  1.0
  Mo  Mo4  1  0.200  0.002  0.564  1.0
  Mo  Mo5  1  0.800  0.998  0.436  1.0
  Mo  Mo6  1  0.106  0.227  0.525  1.0
  Mo  Mo7  1  0.894  0.773  0.475  1.0
  Mo  Mo8  1  0.134  0.454  0.096  1.0
  Mo  Mo9  1  0.866  0.546  0.904  1.0
  Mo  Mo10  1  0.186  0.619  0.958  1.0
  Mo  Mo11  1  0.814  0.381  0.042  1.0
  Mo  Mo12  1  0.044  0.688  0.089  1.0
  Mo  Mo13  1  0.956  0.312  0.911  1.0
  Cl  Cl14  1  0.145  0.778  0.426  1.0
  Cl  Cl15  1  0.855  0.222  0.574  1.0
  Cl  Cl16  1  0.759  0.769  0.302  1.0
  Cl  Cl17  1  0.241  0.231  0.698  1.0
  Cl  Cl18  1  0.343  0.208  0.470  1.0
  Cl  Cl19  1  0.657  0.792  0.530  1.0
  Cl  Cl20  1  0.962  0.201  0.349  1.0
  Cl  Cl21  1  0.038  0.799  0.651  1.0
  Cl  Cl22  1  0.346  0.748  0.134  1.0
  Cl  Cl23  1  0.654  0.252  0.866  1.0
  Cl  Cl24  1  0.989  0.521  0.215  1.0
  Cl  Cl25  1  0.011  0.479  0.785  1.0
  Cl  Cl26  1  0.263  0.387  0.968  1.0
  Cl  Cl27  1  0.737  0.613  0.032  1.0
  Cl  Cl28  1  0.910  0.162  0.046  1.0
  Cl  Cl29  1  0.090  0.838  0.954  1.0
  Cl  Cl30  1  0.463  0.999  0.644  1.0
  Cl  Cl31  1  0.537  0.001  0.356  1.0
  Cl  Cl32  1  0.246  0.527  0.564  1.0
  Cl  Cl33  1  0.754  0.473  0.436  1.0
  Cl  Cl34  1  0.314  0.407  0.231  1.0
  Cl  Cl35  1  0.686  0.593  0.769  1.0
  Cl  Cl36  1  0.433  0.778  0.905  1.0
  Cl  Cl37  1  0.567  0.222  0.095  1.0
  Cl  Cl38  1  0.118  0.957  0.212  1.0
  Cl  Cl39  1  0.882  0.043  0.788  1.0
[/CIF]
.
The material described by NaMo6Cl13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(11), one Cl(12), one Cl(13), one Cl(3), and one Cl(9) atom. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Cl(1), one Cl(13), one Cl(2), one Cl(3), and one Cl(4) atom to form a mixture of corner and edge-sharing MoCl5 square pyramids. In the second Mo site, Mo(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(9) atom to form edge-sharing MoCl5 square pyramids. In the third Mo site, Mo(3) is bonded to one Cl(1), one Cl(10), one Cl(2), one Cl(3), and one Cl(4) atom to form edge-sharing MoCl5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one Cl(11), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form edge-sharing MoCl5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one Cl(12), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form edge-sharing MoCl5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Cl(13), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form a mixture of corner and edge-sharing MoCl5 square pyramids. There are thirteen inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the eighth Cl site, Cl(8) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the ninth Cl site, Cl(9) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(2) atom. In the tenth Cl site, Cl(10) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(3) atom. In the eleventh Cl site, Cl(11) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(4) atom. In the twelfth Cl site, Cl(12) is bonded in a bent 120 degrees geometry to one Na(1) and one Mo(5) atom. In the thirteenth Cl site, Cl(13) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one Mo(6) atom. is represented by the CIF file [CIF]
data_NaMo6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.020
_cell_length_b   9.140
_cell_length_c   14.089
_cell_angle_alpha   97.026
_cell_angle_beta   101.651
_cell_angle_gamma   114.399
_symmetry_Int_Tables_number   1
_cell_volume   1008.062
_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  0.497  0.754  0.727  1.0
  Na  Na1  1  0.503  0.246  0.273  1.0
  Mo  Mo2  1  0.946  0.014  0.619  1.0
  Mo  Mo3  1  0.054  0.986  0.381  1.0
  Mo  Mo4  1  0.200  0.002  0.564  1.0
  Mo  Mo5  1  0.800  0.998  0.436  1.0
  Mo  Mo6  1  0.106  0.227  0.525  1.0
  Mo  Mo7  1  0.894  0.773  0.475  1.0
  Mo  Mo8  1  0.134  0.454  0.096  1.0
  Mo  Mo9  1  0.866  0.546  0.904  1.0
  Mo  Mo10  1  0.186  0.619  0.958  1.0
  Mo  Mo11  1  0.814  0.381  0.042  1.0
  Mo  Mo12  1  0.044  0.688  0.089  1.0
  Mo  Mo13  1  0.956  0.312  0.911  1.0
  Cl  Cl14  1  0.145  0.778  0.426  1.0
  Cl  Cl15  1  0.855  0.222  0.574  1.0
  Cl  Cl16  1  0.759  0.769  0.302  1.0
  Cl  Cl17  1  0.241  0.231  0.698  1.0
  Cl  Cl18  1  0.343  0.208  0.470  1.0
  Cl  Cl19  1  0.657  0.792  0.530  1.0
  Cl  Cl20  1  0.962  0.201  0.349  1.0
  Cl  Cl21  1  0.038  0.799  0.651  1.0
  Cl  Cl22  1  0.346  0.748  0.134  1.0
  Cl  Cl23  1  0.654  0.252  0.866  1.0
  Cl  Cl24  1  0.989  0.521  0.215  1.0
  Cl  Cl25  1  0.011  0.479  0.785  1.0
  Cl  Cl26  1  0.263  0.387  0.968  1.0
  Cl  Cl27  1  0.737  0.613  0.032  1.0
  Cl  Cl28  1  0.910  0.162  0.046  1.0
  Cl  Cl29  1  0.090  0.838  0.954  1.0
  Cl  Cl30  1  0.463  0.999  0.644  1.0
  Cl  Cl31  1  0.537  0.001  0.356  1.0
  Cl  Cl32  1  0.246  0.527  0.564  1.0
  Cl  Cl33  1  0.754  0.473  0.436  1.0
  Cl  Cl34  1  0.314  0.407  0.231  1.0
  Cl  Cl35  1  0.686  0.593  0.769  1.0
  Cl  Cl36  1  0.433  0.778  0.905  1.0
  Cl  Cl37  1  0.567  0.222  0.095  1.0
  Cl  Cl38  1  0.118  0.957  0.212  1.0
  Cl  Cl39  1  0.882  0.043  0.788  1.0
[/CIF]
.