The structure described by MgNb4(CoO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with four equivalent Nb(4)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third Nb site, Nb(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the fourth Nb site, Nb(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Nb(1), one Nb(2), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OMgNb2Co trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(3), 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 rectangular see-saw-like geometry to one Mg(1), one Nb(2), one Nb(4), and one Co(2) atom. is represented by the CIF card [CIF]
data_MgNb4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   4.978
_cell_length_c   8.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   223.812
_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  0.500  0.000  0.820  1.0
  Nb  Nb1  1  0.000  0.000  0.008  1.0
  Nb  Nb2  1  0.000  0.000  0.633  1.0
  Nb  Nb3  1  0.500  0.500  0.146  1.0
  Nb  Nb4  1  0.500  0.500  0.493  1.0
  Co  Co5  1  0.000  0.000  0.320  1.0
  Co  Co6  1  0.500  0.500  0.821  1.0
  O  O7  1  0.194  0.764  0.145  1.0
  O  O8  1  0.166  0.805  0.821  1.0
  O  O9  1  0.193  0.763  0.497  1.0
  O  O10  1  0.320  0.252  0.990  1.0
  O  O11  1  0.330  0.307  0.320  1.0
  O  O12  1  0.320  0.252  0.651  1.0
  O  O13  1  0.680  0.748  0.990  1.0
  O  O14  1  0.670  0.693  0.320  1.0
  O  O15  1  0.680  0.748  0.651  1.0
  O  O16  1  0.834  0.195  0.821  1.0
  O  O17  1  0.806  0.236  0.145  1.0
  O  O18  1  0.807  0.237  0.497  1.0
[/CIF]
.
The structure described by MgNb4(CoO6)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with four equivalent Nb(4)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third Nb site, Nb(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the fourth Nb site, Nb(4) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Nb(1), one Nb(2), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OMgNb2Co trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Nb(1), one Nb(3), 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 rectangular see-saw-like geometry to one Mg(1), one Nb(2), one Nb(4), and one Co(2) atom. is represented by the CIF card [CIF]
data_MgNb4(CoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.108
_cell_length_b   4.978
_cell_length_c   8.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.909
_symmetry_Int_Tables_number   1
_cell_volume   223.812
_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  0.500  0.000  0.820  1.0
  Nb  Nb1  1  0.000  0.000  0.008  1.0
  Nb  Nb2  1  0.000  0.000  0.633  1.0
  Nb  Nb3  1  0.500  0.500  0.146  1.0
  Nb  Nb4  1  0.500  0.500  0.493  1.0
  Co  Co5  1  0.000  0.000  0.320  1.0
  Co  Co6  1  0.500  0.500  0.821  1.0
  O  O7  1  0.194  0.764  0.145  1.0
  O  O8  1  0.166  0.805  0.821  1.0
  O  O9  1  0.193  0.763  0.497  1.0
  O  O10  1  0.320  0.252  0.990  1.0
  O  O11  1  0.330  0.307  0.320  1.0
  O  O12  1  0.320  0.252  0.651  1.0
  O  O13  1  0.680  0.748  0.990  1.0
  O  O14  1  0.670  0.693  0.320  1.0
  O  O15  1  0.680  0.748  0.651  1.0
  O  O16  1  0.834  0.195  0.821  1.0
  O  O17  1  0.806  0.236  0.145  1.0
  O  O18  1  0.807  0.237  0.497  1.0
[/CIF]
.