The material structure described by K5Na3(MoO4)4 crystallizes in the triclinic P1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(2), one O(5), one O(6), and one O(9) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(3), two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(10), one O(15), one O(2), two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(9), two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form NaO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(3)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form NaO6 octahedra that share corners with three equivalent Mo(2)O4 tetrahedra and corners with three equivalent Mo(4)O4 tetrahedra. In the third Na site, Na(3) is bonded in a 1-coordinate geometry to one O(10), one O(13), and one O(4) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-37°. In the second Mo site, Mo(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form MoO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-39°. In the third Mo site, Mo(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-39°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form MoO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-40°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(5), two equivalent K(3), one Na(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one Na(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(5), one Na(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(4), one Na(2), one Na(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Na(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Na(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(5), one Na(1), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(4), one Na(2), and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one K(1), one K(5), two equivalent K(3), one Na(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one K(1), one K(4), one Na(2), one Na(3), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(5), one Na(1), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(4), one Na(2), and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one Na(3), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mo(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Mo(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one K(2), one K(5), and one Mo(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Na3(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.121
_cell_length_b   6.120
_cell_length_c   15.351
_cell_angle_alpha   90.060
_cell_angle_beta   90.296
_cell_angle_gamma   119.950
_symmetry_Int_Tables_number   1
_cell_volume   498.258
_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
  K  K0  1  0.055  0.055  0.751  1.0
  K  K1  1  0.945  0.945  0.250  1.0
  K  K2  1  0.355  0.692  0.584  1.0
  K  K3  1  0.307  0.644  0.084  1.0
  K  K4  1  0.645  0.308  0.416  1.0
  Na  Na5  1  1.000  0.000  0.500  1.0
  Na  Na6  1  1.000  1.000  0.999  1.0
  Na  Na7  1  0.684  0.350  0.909  1.0
  Mo  Mo8  1  0.692  0.359  0.642  1.0
  Mo  Mo9  1  0.360  0.692  0.862  1.0
  Mo  Mo10  1  0.308  0.641  0.361  1.0
  Mo  Mo11  1  0.641  0.309  0.138  1.0
  O  O12  1  0.395  0.215  0.584  1.0
  O  O13  1  0.213  0.394  0.918  1.0
  O  O14  1  0.607  0.785  0.418  1.0
  O  O15  1  0.784  0.604  0.079  1.0
  O  O16  1  0.847  0.691  0.620  1.0
  O  O17  1  0.695  0.846  0.881  1.0
  O  O18  1  0.152  0.306  0.381  1.0
  O  O19  1  0.306  0.151  0.119  1.0
  O  O20  1  0.872  0.232  0.593  1.0
  O  O21  1  0.237  0.879  0.909  1.0
  O  O22  1  0.127  0.769  0.409  1.0
  O  O23  1  0.768  0.125  0.091  1.0
  O  O24  1  0.638  0.288  0.756  1.0
  O  O25  1  0.281  0.633  0.748  1.0
  O  O26  1  0.368  0.719  0.248  1.0
  O  O27  1  0.720  0.369  0.251  1.0
[/CIF]
.
The material structure described by K5Na3(MoO4)4 crystallizes in the triclinic P1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(2), one O(5), one O(6), and one O(9) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(3), two equivalent O(1), two equivalent O(5), and two equivalent O(9) atoms. In the fourth K site, K(4) is bonded in a 9-coordinate geometry to one O(10), one O(15), one O(2), two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(9), two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form NaO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(3)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form NaO6 octahedra that share corners with three equivalent Mo(2)O4 tetrahedra and corners with three equivalent Mo(4)O4 tetrahedra. In the third Na site, Na(3) is bonded in a 1-coordinate geometry to one O(10), one O(13), and one O(4) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-37°. In the second Mo site, Mo(2) is bonded to one O(10), one O(14), one O(2), and one O(6) atom to form MoO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-39°. In the third Mo site, Mo(3) is bonded to one O(11), one O(15), one O(3), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-39°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(16), one O(4), and one O(8) atom to form MoO4 tetrahedra that share corners with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-40°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(5), two equivalent K(3), one Na(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(4), one Na(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(5), one Na(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(4), one Na(2), one Na(3), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(3), one Na(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Na(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(5), one Na(1), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(4), one Na(2), and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one K(1), one K(5), two equivalent K(3), one Na(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one K(1), one K(4), one Na(2), one Na(3), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(5), one Na(1), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(2), two equivalent K(4), one Na(2), and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one Na(3), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one Mo(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one Mo(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one K(2), one K(5), and one Mo(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Na3(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.121
_cell_length_b   6.120
_cell_length_c   15.351
_cell_angle_alpha   90.060
_cell_angle_beta   90.296
_cell_angle_gamma   119.950
_symmetry_Int_Tables_number   1
_cell_volume   498.258
_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
  K  K0  1  0.055  0.055  0.751  1.0
  K  K1  1  0.945  0.945  0.250  1.0
  K  K2  1  0.355  0.692  0.584  1.0
  K  K3  1  0.307  0.644  0.084  1.0
  K  K4  1  0.645  0.308  0.416  1.0
  Na  Na5  1  1.000  0.000  0.500  1.0
  Na  Na6  1  1.000  1.000  0.999  1.0
  Na  Na7  1  0.684  0.350  0.909  1.0
  Mo  Mo8  1  0.692  0.359  0.642  1.0
  Mo  Mo9  1  0.360  0.692  0.862  1.0
  Mo  Mo10  1  0.308  0.641  0.361  1.0
  Mo  Mo11  1  0.641  0.309  0.138  1.0
  O  O12  1  0.395  0.215  0.584  1.0
  O  O13  1  0.213  0.394  0.918  1.0
  O  O14  1  0.607  0.785  0.418  1.0
  O  O15  1  0.784  0.604  0.079  1.0
  O  O16  1  0.847  0.691  0.620  1.0
  O  O17  1  0.695  0.846  0.881  1.0
  O  O18  1  0.152  0.306  0.381  1.0
  O  O19  1  0.306  0.151  0.119  1.0
  O  O20  1  0.872  0.232  0.593  1.0
  O  O21  1  0.237  0.879  0.909  1.0
  O  O22  1  0.127  0.769  0.409  1.0
  O  O23  1  0.768  0.125  0.091  1.0
  O  O24  1  0.638  0.288  0.756  1.0
  O  O25  1  0.281  0.633  0.748  1.0
  O  O26  1  0.368  0.719  0.248  1.0
  O  O27  1  0.720  0.369  0.251  1.0
[/CIF]
.