The structure described by Na2Mo4Co5(O4Cl)4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(15), one Cl(1), one Cl(4), one Cl(6), and one Cl(7) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(2), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(15), one O(3), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(4), one Cl(1), one Cl(4), one Cl(6), and one Cl(7) atom. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(26), one O(28), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second Mo site, Mo(2) is bonded to one O(2), one O(25), one O(27), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the third Mo site, Mo(3) is bonded to one O(3), one O(30), one O(32), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the fourth Mo site, Mo(4) is bonded to one O(29), one O(31), one O(4), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(17), one O(21), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the sixth Mo site, Mo(6) is bonded to one O(10), one O(14), one O(18), and one O(22) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the seventh Mo site, Mo(7) is bonded to one O(11), one O(15), one O(19), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the eighth Mo site, Mo(8) is bonded to one O(12), one O(16), one O(20), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one Cl(2), one Cl(4), one Cl(6), and one Cl(8) atom to form CoCl4O2 octahedra that share  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra,  a cornercorner with one Co(9)ClO5 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and  a cornercorner with one Mo(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Co site, Co(2) is bonded to one O(11), one O(20), one O(22), one O(29), one O(7), and one Cl(6) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(8)ClO5 octahedra, and  an edgeedge with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the third Co site, Co(3) is bonded to one O(12), one O(17), one O(23), one O(32), one O(8), and one Cl(3) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(10)ClO5 octahedra, and  an edgeedge with one Co(7)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the fourth Co site, Co(4) is bonded to one O(10), one O(19), one O(21), one O(26), one O(6), and one Cl(7) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  an edgeedge with one Co(10)ClO5 octahedra, and  an edgeedge with one Co(7)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the fifth Co site, Co(5) is bonded to one O(18), one O(24), one O(27), one O(5), one O(9), and one Cl(2) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(8)ClO5 octahedra, and  an edgeedge with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the sixth Co site, Co(6) is bonded to one O(2), one O(4), one Cl(1), one Cl(3), one Cl(5), and one Cl(7) atom to form CoCl4O2 octahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and  a cornercorner with one Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the seventh Co site, Co(7) is bonded to one O(12), one O(19), one O(21), one O(30), one O(8), and one Cl(5) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(3)ClO5 octahedra, and  an edgeedge with one Co(4)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the eighth Co site, Co(8) is bonded to one O(11), one O(18), one O(24), one O(31), one O(7), and one Cl(4) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(2)ClO5 octahedra, and  an edgeedge with one Co(5)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the ninth Co site, Co(9) is bonded to one O(20), one O(22), one O(25), one O(5), one O(9), and one Cl(8) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(2)ClO5 octahedra, and  an edgeedge with one Co(5)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the tenth Co site, Co(10) is bonded to one O(10), one O(17), one O(23), one O(28), one O(6), and one Cl(1) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  an edgeedge with one Co(3)ClO5 octahedra, and  an edgeedge with one Co(4)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(2), one Mo(2), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(3), one Mo(3), and one Co(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(4), one Mo(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mo(1), one Co(5), and one Co(9) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mo(2), one Co(10), and one Co(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(3), one Co(2), and one Co(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mo(4), one Co(3), and one Co(7) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(5), and one Co(9) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(10), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(2), and one Co(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(3), and one Co(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Mo(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(10), and one Co(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(5), and one Co(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(4), and one Co(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(2), and one Co(9) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(4), and one Co(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(2), and one Co(9) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(10), and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(5), and one Co(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mo(2) and one Co(9) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mo(2) and one Co(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(10) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Mo(4) and one Co(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Mo(3) and one Co(7) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Mo(4) and one Co(8) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Mo(3) and one Co(3) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one Na(4), one Co(10), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one Na(3), one Co(1), and one Co(5) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(2), one Na(3), one Co(3), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one Na(4), one Co(1), and one Co(8) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(2), one Na(3), one Co(6), and one Co(7) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one Na(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the seventh Cl site, Cl(7) is bonded to one Na(1), one Na(4), one Co(4), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the eighth Cl site, Cl(8) is bonded to one Na(2), one Na(3), one Co(1), and one Co(9) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Co5Mo4(ClO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.036
_cell_length_b   7.038
_cell_length_c   10.840
_cell_angle_alpha   105.333
_cell_angle_beta   105.426
_cell_angle_gamma   78.883
_symmetry_Int_Tables_number   1
_cell_volume   494.678
_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
  Cl  Cl0  1  0.034  0.643  0.375  1.0
  Cl  Cl1  1  0.965  0.357  0.626  1.0
  Cl  Cl2  1  0.357  0.966  0.625  1.0
  Cl  Cl3  1  0.644  0.034  0.374  1.0
  Co  Co4  1  0.999  0.001  0.500  1.0
  Co  Co5  1  0.442  0.084  0.865  1.0
  Co  Co6  1  0.083  0.442  0.865  1.0
  Co  Co7  1  0.559  0.916  0.135  1.0
  Co  Co8  1  0.917  0.558  0.135  1.0
  Mo  Mo9  1  0.042  0.041  0.194  1.0
  Mo  Mo10  1  0.958  0.958  0.806  1.0
  Mo  Mo11  1  0.448  0.448  0.152  1.0
  Mo  Mo12  1  0.551  0.552  0.848  1.0
  Na  Na13  1  0.328  0.328  0.489  1.0
  Na  Na14  1  0.671  0.672  0.511  1.0
  O  O15  1  0.100  0.098  0.371  1.0
  O  O16  1  0.900  0.902  0.629  1.0
  O  O17  1  0.862  0.861  0.131  1.0
  O  O18  1  0.139  0.139  0.869  1.0
  O  O19  1  0.608  0.608  0.127  1.0
  O  O20  1  0.392  0.392  0.873  1.0
  O  O21  1  0.480  0.480  0.322  1.0
  O  O22  1  0.520  0.521  0.678  1.0
  O  O23  1  0.187  0.516  0.083  1.0
  O  O24  1  0.484  0.813  0.917  1.0
  O  O25  1  0.516  0.187  0.083  1.0
  O  O26  1  0.813  0.484  0.917  1.0
  O  O27  1  0.269  0.944  0.143  1.0
  O  O28  1  0.945  0.268  0.143  1.0
  O  O29  1  0.732  0.055  0.857  1.0
  O  O30  1  0.056  0.731  0.856  1.0
[/CIF]
.
The structure described by Na2Mo4Co5(O4Cl)4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(15), one Cl(1), one Cl(4), one Cl(6), and one Cl(7) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(2), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(15), one O(3), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(14), one O(16), one O(4), one Cl(1), one Cl(4), one Cl(6), and one Cl(7) atom. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(26), one O(28), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second Mo site, Mo(2) is bonded to one O(2), one O(25), one O(27), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the third Mo site, Mo(3) is bonded to one O(3), one O(30), one O(32), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the fourth Mo site, Mo(4) is bonded to one O(29), one O(31), one O(4), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the fifth Mo site, Mo(5) is bonded to one O(13), one O(17), one O(21), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the sixth Mo site, Mo(6) is bonded to one O(10), one O(14), one O(18), and one O(22) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the seventh Mo site, Mo(7) is bonded to one O(11), one O(15), one O(19), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra, and  a cornercorner with one Co(8)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the eighth Mo site, Mo(8) is bonded to one O(12), one O(16), one O(20), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra, and  a cornercorner with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one Cl(2), one Cl(4), one Cl(6), and one Cl(8) atom to form CoCl4O2 octahedra that share  a cornercorner with one Co(2)ClO5 octahedra,  a cornercorner with one Co(5)ClO5 octahedra,  a cornercorner with one Co(8)ClO5 octahedra,  a cornercorner with one Co(9)ClO5 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and  a cornercorner with one Mo(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Co site, Co(2) is bonded to one O(11), one O(20), one O(22), one O(29), one O(7), and one Cl(6) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(8)ClO5 octahedra, and  an edgeedge with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the third Co site, Co(3) is bonded to one O(12), one O(17), one O(23), one O(32), one O(8), and one Cl(3) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(10)ClO5 octahedra, and  an edgeedge with one Co(7)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the fourth Co site, Co(4) is bonded to one O(10), one O(19), one O(21), one O(26), one O(6), and one Cl(7) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  an edgeedge with one Co(10)ClO5 octahedra, and  an edgeedge with one Co(7)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the fifth Co site, Co(5) is bonded to one O(18), one O(24), one O(27), one O(5), one O(9), and one Cl(2) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(8)ClO5 octahedra, and  an edgeedge with one Co(9)ClO5 octahedra. The corner-sharing octahedral tilt angles are 59°. In the sixth Co site, Co(6) is bonded to one O(2), one O(4), one Cl(1), one Cl(3), one Cl(5), and one Cl(7) atom to form CoCl4O2 octahedra that share  a cornercorner with one Co(10)ClO5 octahedra,  a cornercorner with one Co(3)ClO5 octahedra,  a cornercorner with one Co(4)ClO5 octahedra,  a cornercorner with one Co(7)ClO5 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and  a cornercorner with one Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the seventh Co site, Co(7) is bonded to one O(12), one O(19), one O(21), one O(30), one O(8), and one Cl(5) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(3)ClO5 octahedra, and  an edgeedge with one Co(4)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the eighth Co site, Co(8) is bonded to one O(11), one O(18), one O(24), one O(31), one O(7), and one Cl(4) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(2)ClO5 octahedra, and  an edgeedge with one Co(5)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the ninth Co site, Co(9) is bonded to one O(20), one O(22), one O(25), one O(5), one O(9), and one Cl(8) atom to form CoClO5 octahedra that share  a cornercorner with one Co(1)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra,  an edgeedge with one Co(2)ClO5 octahedra, and  an edgeedge with one Co(5)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. In the tenth Co site, Co(10) is bonded to one O(10), one O(17), one O(23), one O(28), one O(6), and one Cl(1) atom to form CoClO5 octahedra that share  a cornercorner with one Co(6)Cl4O2 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  an edgeedge with one Co(3)ClO5 octahedra, and  an edgeedge with one Co(4)ClO5 octahedra. The corner-sharing octahedral tilt angles are 60°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Co(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(2), one Mo(2), and one Co(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Na(3), one Mo(3), and one Co(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(4), one Mo(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mo(1), one Co(5), and one Co(9) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mo(2), one Co(10), and one Co(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(3), one Co(2), and one Co(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mo(4), one Co(3), and one Co(7) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(5), and one Co(9) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(10), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(2), and one Co(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(3), and one Co(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one Mo(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one Mo(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(10), and one Co(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(5), and one Co(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(4), and one Co(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(2), and one Co(9) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mo(5), one Co(4), and one Co(7) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Mo(6), one Co(2), and one Co(9) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Mo(7), one Co(10), and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Mo(8), one Co(5), and one Co(8) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mo(2) and one Co(9) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mo(2) and one Co(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(10) atom. In the twenty-ninth O site, O(29) is bonded in a bent 150 degrees geometry to one Mo(4) and one Co(2) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Mo(3) and one Co(7) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Mo(4) and one Co(8) atom. In the thirty-second O site, O(32) is bonded in a bent 150 degrees geometry to one Mo(3) and one Co(3) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one Na(4), one Co(10), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one Na(3), one Co(1), and one Co(5) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(2), one Na(3), one Co(3), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one Na(4), one Co(1), and one Co(8) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(2), one Na(3), one Co(6), and one Co(7) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one Na(4), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the seventh Cl site, Cl(7) is bonded to one Na(1), one Na(4), one Co(4), and one Co(6) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. In the eighth Cl site, Cl(8) is bonded to one Na(2), one Na(3), one Co(1), and one Co(9) atom to form a mixture of distorted corner and edge-sharing ClNa2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Co5Mo4(ClO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.036
_cell_length_b   7.038
_cell_length_c   10.840
_cell_angle_alpha   105.333
_cell_angle_beta   105.426
_cell_angle_gamma   78.883
_symmetry_Int_Tables_number   1
_cell_volume   494.678
_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
  Cl  Cl0  1  0.034  0.643  0.375  1.0
  Cl  Cl1  1  0.965  0.357  0.626  1.0
  Cl  Cl2  1  0.357  0.966  0.625  1.0
  Cl  Cl3  1  0.644  0.034  0.374  1.0
  Co  Co4  1  0.999  0.001  0.500  1.0
  Co  Co5  1  0.442  0.084  0.865  1.0
  Co  Co6  1  0.083  0.442  0.865  1.0
  Co  Co7  1  0.559  0.916  0.135  1.0
  Co  Co8  1  0.917  0.558  0.135  1.0
  Mo  Mo9  1  0.042  0.041  0.194  1.0
  Mo  Mo10  1  0.958  0.958  0.806  1.0
  Mo  Mo11  1  0.448  0.448  0.152  1.0
  Mo  Mo12  1  0.551  0.552  0.848  1.0
  Na  Na13  1  0.328  0.328  0.489  1.0
  Na  Na14  1  0.671  0.672  0.511  1.0
  O  O15  1  0.100  0.098  0.371  1.0
  O  O16  1  0.900  0.902  0.629  1.0
  O  O17  1  0.862  0.861  0.131  1.0
  O  O18  1  0.139  0.139  0.869  1.0
  O  O19  1  0.608  0.608  0.127  1.0
  O  O20  1  0.392  0.392  0.873  1.0
  O  O21  1  0.480  0.480  0.322  1.0
  O  O22  1  0.520  0.521  0.678  1.0
  O  O23  1  0.187  0.516  0.083  1.0
  O  O24  1  0.484  0.813  0.917  1.0
  O  O25  1  0.516  0.187  0.083  1.0
  O  O26  1  0.813  0.484  0.917  1.0
  O  O27  1  0.269  0.944  0.143  1.0
  O  O28  1  0.945  0.268  0.143  1.0
  O  O29  1  0.732  0.055  0.857  1.0
  O  O30  1  0.056  0.731  0.856  1.0
[/CIF]
.