The material described by Mo13O33 crystallizes in the triclinic P1 space group. There are thirteen inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(14), one O(15), one O(23), and two equivalent O(5) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(16), one O(23), and two equivalent O(6) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third Mo site, Mo(3) is bonded to one O(11), one O(17), one O(28), one O(3), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(18), one O(29), one O(4), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 4-33°. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(19), one O(24), one O(30), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the sixth Mo site, Mo(6) is bonded to one O(14), one O(20), one O(25), one O(31), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-31°. In the seventh Mo site, Mo(7) is bonded to one O(21), one O(25), one O(26), one O(7), and two equivalent O(18) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(11)O6 octahedra,  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the eighth Mo site, Mo(8) is bonded to one O(22), one O(24), one O(27), one O(8), and two equivalent O(17) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(12)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the ninth Mo site, Mo(9) is bonded to one O(1), one O(19), one O(3), one O(9), and two equivalent O(31) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(9)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. In the tenth Mo site, Mo(10) is bonded to one O(10), one O(2), one O(20), one O(4), and two equivalent O(30) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. In the eleventh Mo site, Mo(11) is bonded to one O(15), one O(21), one O(28), one O(32), and two equivalent O(33) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the twelfth Mo site, Mo(12) is bonded to one O(16), one O(22), one O(29), one O(33), and two equivalent O(32) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. In the thirteenth Mo site, Mo(13) is bonded to one O(10), one O(26), one O(27), and one O(9) atom to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are thirty-three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(9) and two equivalent Mo(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(10) and two equivalent Mo(5) atoms. In the third O site, O(3) is bonded in a linear geometry to one Mo(3) and one Mo(9) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(10) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(7) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mo(8) and two equivalent Mo(3) atoms. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(13) and one Mo(9) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mo(10) and one Mo(13) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mo(1) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Mo(2) and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Mo(1) and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Mo(1) and one Mo(11) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Mo(12) and one Mo(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(8) atoms. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(7) atoms. In the nineteenth O site, O(19) is bonded in a linear geometry to one Mo(5) and one Mo(9) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one Mo(10) and one Mo(6) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Mo(11) and one Mo(7) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Mo(12) and one Mo(8) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Mo(5) and one Mo(8) atom. In the twenty-fifth O site, O(25) is bonded in a linear geometry to one Mo(6) and one Mo(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Mo(13) and one Mo(7) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Mo(13) and one Mo(8) atom. In the twenty-eighth O site, O(28) is bonded in a linear geometry to one Mo(11) and one Mo(3) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Mo(12) and one Mo(4) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal non-coplanar geometry to one Mo(5) and two equivalent Mo(10) atoms. In the thirty-first O site, O(31) is bonded in a distorted trigonal non-coplanar geometry to one Mo(6) and two equivalent Mo(9) atoms. In the thirty-second O site, O(32) is bonded in a distorted T-shaped geometry to one Mo(11) and two equivalent Mo(12) atoms. In the thirty-third O site, O(33) is bonded in a distorted T-shaped geometry to one Mo(12) and two equivalent Mo(11) atoms. is represented by the CIF file [CIF]
data_Mo13O33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   11.372
_cell_length_c   15.032
_cell_angle_alpha   93.647
_cell_angle_beta   97.420
_cell_angle_gamma   99.878
_symmetry_Int_Tables_number   1
_cell_volume   649.845
_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
  Mo  Mo0  1  0.017  0.942  0.117  1.0
  Mo  Mo1  1  0.973  0.055  0.880  1.0
  Mo  Mo2  1  0.746  0.714  0.787  1.0
  Mo  Mo3  1  0.255  0.286  0.213  1.0
  Mo  Mo4  1  0.877  0.139  0.633  1.0
  Mo  Mo5  1  0.123  0.859  0.366  1.0
  Mo  Mo6  1  0.902  0.526  0.270  1.0
  Mo  Mo7  1  0.103  0.474  0.731  1.0
  Mo  Mo8  1  0.683  0.808  0.542  1.0
  Mo  Mo9  1  0.313  0.190  0.457  1.0
  Mo  Mo10  1  0.818  0.610  0.027  1.0
  Mo  Mo11  1  0.179  0.384  0.973  1.0
  Mo  Mo12  1  0.752  0.499  0.500  1.0
  O  O13  1  0.621  0.842  0.398  1.0
  O  O14  1  0.376  0.157  0.600  1.0
  O  O15  1  0.689  0.753  0.652  1.0
  O  O16  1  0.309  0.248  0.348  1.0
  O  O17  1  0.542  0.954  0.129  1.0
  O  O18  1  0.462  0.044  0.874  1.0
  O  O19  1  0.786  0.335  0.228  1.0
  O  O20  1  0.215  0.665  0.771  1.0
  O  O21  1  0.554  0.629  0.484  1.0
  O  O22  1  0.437  0.371  0.516  1.0
  O  O23  1  0.848  0.869  0.824  1.0
  O  O24  1  0.155  0.131  0.177  1.0
  O  O25  1  0.939  0.107  0.748  1.0
  O  O26  1  0.065  0.899  0.249  1.0
  O  O27  1  0.929  0.784  0.076  1.0
  O  O28  1  0.074  0.219  0.926  1.0
  O  O29  1  0.630  0.525  0.737  1.0
  O  O30  1  0.374  0.475  0.264  1.0
  O  O31  1  0.772  0.975  0.582  1.0
  O  O32  1  0.219  0.026  0.416  1.0
  O  O33  1  0.858  0.569  0.147  1.0
  O  O34  1  0.145  0.433  0.853  1.0
  O  O35  1  0.003  0.001  0.006  1.0
  O  O36  1  0.992  0.324  0.679  1.0
  O  O37  1  0.006  0.678  0.319  1.0
  O  O38  1  0.939  0.466  0.400  1.0
  O  O39  1  0.070  0.534  0.600  1.0
  O  O40  1  0.784  0.661  0.909  1.0
  O  O41  1  0.219  0.341  0.092  1.0
  O  O42  1  0.841  0.191  0.495  1.0
  O  O43  1  0.155  0.809  0.505  1.0
  O  O44  1  0.705  0.427  0.981  1.0
  O  O45  1  0.294  0.570  0.018  1.0
[/CIF]
.
The material described by Mo13O33 crystallizes in the triclinic P1 space group. There are thirteen inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(14), one O(15), one O(23), and two equivalent O(5) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Mo site, Mo(2) is bonded to one O(11), one O(13), one O(16), one O(23), and two equivalent O(6) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the third Mo site, Mo(3) is bonded to one O(11), one O(17), one O(28), one O(3), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(18), one O(29), one O(4), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 4-33°. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(19), one O(24), one O(30), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the sixth Mo site, Mo(6) is bonded to one O(14), one O(20), one O(25), one O(31), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 2-31°. In the seventh Mo site, Mo(7) is bonded to one O(21), one O(25), one O(26), one O(7), and two equivalent O(18) atoms to form MoO6 octahedra that share  a cornercorner with one Mo(11)O6 octahedra,  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Mo(7)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the eighth Mo site, Mo(8) is bonded to one O(22), one O(24), one O(27), one O(8), and two equivalent O(17) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(12)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(8)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the ninth Mo site, Mo(9) is bonded to one O(1), one O(19), one O(3), one O(9), and two equivalent O(31) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(9)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. In the tenth Mo site, Mo(10) is bonded to one O(10), one O(2), one O(20), one O(4), and two equivalent O(30) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Mo(10)O6 octahedra,  a cornercorner with one Mo(13)O4 tetrahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. In the eleventh Mo site, Mo(11) is bonded to one O(15), one O(21), one O(28), one O(32), and two equivalent O(33) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the twelfth Mo site, Mo(12) is bonded to one O(16), one O(22), one O(29), one O(33), and two equivalent O(32) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. In the thirteenth Mo site, Mo(13) is bonded to one O(10), one O(26), one O(27), and one O(9) atom to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are thirty-three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(9) and two equivalent Mo(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(10) and two equivalent Mo(5) atoms. In the third O site, O(3) is bonded in a linear geometry to one Mo(3) and one Mo(9) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(10) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(7) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mo(8) and two equivalent Mo(3) atoms. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(13) and one Mo(9) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Mo(10) and one Mo(13) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mo(1) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Mo(2) and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Mo(1) and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Mo(1) and one Mo(11) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Mo(12) and one Mo(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(8) atoms. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(7) atoms. In the nineteenth O site, O(19) is bonded in a linear geometry to one Mo(5) and one Mo(9) atom. In the twentieth O site, O(20) is bonded in a linear geometry to one Mo(10) and one Mo(6) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Mo(11) and one Mo(7) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Mo(12) and one Mo(8) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Mo(5) and one Mo(8) atom. In the twenty-fifth O site, O(25) is bonded in a linear geometry to one Mo(6) and one Mo(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one Mo(13) and one Mo(7) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Mo(13) and one Mo(8) atom. In the twenty-eighth O site, O(28) is bonded in a linear geometry to one Mo(11) and one Mo(3) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Mo(12) and one Mo(4) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal non-coplanar geometry to one Mo(5) and two equivalent Mo(10) atoms. In the thirty-first O site, O(31) is bonded in a distorted trigonal non-coplanar geometry to one Mo(6) and two equivalent Mo(9) atoms. In the thirty-second O site, O(32) is bonded in a distorted T-shaped geometry to one Mo(11) and two equivalent Mo(12) atoms. In the thirty-third O site, O(33) is bonded in a distorted T-shaped geometry to one Mo(12) and two equivalent Mo(11) atoms. is represented by the CIF file [CIF]
data_Mo13O33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   11.372
_cell_length_c   15.032
_cell_angle_alpha   93.647
_cell_angle_beta   97.420
_cell_angle_gamma   99.878
_symmetry_Int_Tables_number   1
_cell_volume   649.845
_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
  Mo  Mo0  1  0.017  0.942  0.117  1.0
  Mo  Mo1  1  0.973  0.055  0.880  1.0
  Mo  Mo2  1  0.746  0.714  0.787  1.0
  Mo  Mo3  1  0.255  0.286  0.213  1.0
  Mo  Mo4  1  0.877  0.139  0.633  1.0
  Mo  Mo5  1  0.123  0.859  0.366  1.0
  Mo  Mo6  1  0.902  0.526  0.270  1.0
  Mo  Mo7  1  0.103  0.474  0.731  1.0
  Mo  Mo8  1  0.683  0.808  0.542  1.0
  Mo  Mo9  1  0.313  0.190  0.457  1.0
  Mo  Mo10  1  0.818  0.610  0.027  1.0
  Mo  Mo11  1  0.179  0.384  0.973  1.0
  Mo  Mo12  1  0.752  0.499  0.500  1.0
  O  O13  1  0.621  0.842  0.398  1.0
  O  O14  1  0.376  0.157  0.600  1.0
  O  O15  1  0.689  0.753  0.652  1.0
  O  O16  1  0.309  0.248  0.348  1.0
  O  O17  1  0.542  0.954  0.129  1.0
  O  O18  1  0.462  0.044  0.874  1.0
  O  O19  1  0.786  0.335  0.228  1.0
  O  O20  1  0.215  0.665  0.771  1.0
  O  O21  1  0.554  0.629  0.484  1.0
  O  O22  1  0.437  0.371  0.516  1.0
  O  O23  1  0.848  0.869  0.824  1.0
  O  O24  1  0.155  0.131  0.177  1.0
  O  O25  1  0.939  0.107  0.748  1.0
  O  O26  1  0.065  0.899  0.249  1.0
  O  O27  1  0.929  0.784  0.076  1.0
  O  O28  1  0.074  0.219  0.926  1.0
  O  O29  1  0.630  0.525  0.737  1.0
  O  O30  1  0.374  0.475  0.264  1.0
  O  O31  1  0.772  0.975  0.582  1.0
  O  O32  1  0.219  0.026  0.416  1.0
  O  O33  1  0.858  0.569  0.147  1.0
  O  O34  1  0.145  0.433  0.853  1.0
  O  O35  1  0.003  0.001  0.006  1.0
  O  O36  1  0.992  0.324  0.679  1.0
  O  O37  1  0.006  0.678  0.319  1.0
  O  O38  1  0.939  0.466  0.400  1.0
  O  O39  1  0.070  0.534  0.600  1.0
  O  O40  1  0.784  0.661  0.909  1.0
  O  O41  1  0.219  0.341  0.092  1.0
  O  O42  1  0.841  0.191  0.495  1.0
  O  O43  1  0.155  0.809  0.505  1.0
  O  O44  1  0.705  0.427  0.981  1.0
  O  O45  1  0.294  0.570  0.018  1.0
[/CIF]
.