The crystal structure described by MgNb4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(3), and one O(6) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-76°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, and  an edgeedge with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-55°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Nb(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(1), one Nb(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(2), one Nb(3), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(2), one Nb(4), and one Co(2) atom. is represented by the CIF file [CIF]
data_MgNb4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.073
_cell_length_b   5.790
_cell_length_c   5.889
_cell_angle_alpha   75.287
_cell_angle_beta   58.862
_cell_angle_gamma   59.321
_symmetry_Int_Tables_number   1
_cell_volume   227.740
_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
  Mg  Mg0  1  0.409  1.000  0.513  1.0
  Nb  Nb1  1  0.007  0.969  0.980  1.0
  Nb  Nb2  1  0.308  0.036  0.062  1.0
  Nb  Nb3  1  0.688  0.996  0.965  1.0
  Nb  Nb4  1  0.810  0.495  0.510  1.0
  Co  Co5  1  0.161  0.546  0.484  1.0
  Co  Co6  1  0.507  0.453  0.493  1.0
  O  O7  1  0.478  0.272  0.276  1.0
  O  O8  1  0.169  0.817  0.188  1.0
  O  O9  1  0.174  0.185  0.825  1.0
  O  O10  1  0.816  0.287  0.298  1.0
  O  O11  1  0.854  0.718  0.695  1.0
  O  O12  1  0.496  0.801  0.206  1.0
  O  O13  1  0.493  0.182  0.794  1.0
  O  O14  1  0.126  0.310  0.325  1.0
  O  O15  1  0.200  0.717  0.698  1.0
  O  O16  1  0.848  0.221  0.788  1.0
  O  O17  1  0.836  0.785  0.209  1.0
  O  O18  1  0.535  0.699  0.700  1.0
[/CIF]
.
The crystal structure described by MgNb4(CoO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(3), and one O(6) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-76°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, and  an edgeedge with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-55°. In the second Co site, Co(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Nb(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Nb(3), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(1), one Nb(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nb(2), one Nb(3), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(2), one Nb(4), and one Co(2) atom. is represented by the CIF file [CIF]
data_MgNb4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.073
_cell_length_b   5.790
_cell_length_c   5.889
_cell_angle_alpha   75.287
_cell_angle_beta   58.862
_cell_angle_gamma   59.321
_symmetry_Int_Tables_number   1
_cell_volume   227.740
_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
  Mg  Mg0  1  0.409  1.000  0.513  1.0
  Nb  Nb1  1  0.007  0.969  0.980  1.0
  Nb  Nb2  1  0.308  0.036  0.062  1.0
  Nb  Nb3  1  0.688  0.996  0.965  1.0
  Nb  Nb4  1  0.810  0.495  0.510  1.0
  Co  Co5  1  0.161  0.546  0.484  1.0
  Co  Co6  1  0.507  0.453  0.493  1.0
  O  O7  1  0.478  0.272  0.276  1.0
  O  O8  1  0.169  0.817  0.188  1.0
  O  O9  1  0.174  0.185  0.825  1.0
  O  O10  1  0.816  0.287  0.298  1.0
  O  O11  1  0.854  0.718  0.695  1.0
  O  O12  1  0.496  0.801  0.206  1.0
  O  O13  1  0.493  0.182  0.794  1.0
  O  O14  1  0.126  0.310  0.325  1.0
  O  O15  1  0.200  0.717  0.698  1.0
  O  O16  1  0.848  0.221  0.788  1.0
  O  O17  1  0.836  0.785  0.209  1.0
  O  O18  1  0.535  0.699  0.700  1.0
[/CIF]
.