The material structure described by Na6MgMo2(NO3)2 crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one N(1), one O(3), and two equivalent O(1) atoms to form NaNO3 tetrahedra that share corners with two equivalent Mo(1)NO3 tetrahedra, corners with two equivalent Mo(2)NO3 tetrahedra, and corners with four equivalent Na(2)NO3 tetrahedra. In the second Na site, Na(2) is bonded to one N(1), one O(1), one O(2), and one O(4) atom to form distorted NaNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra, corners with two equivalent Na(2)NO3 tetrahedra, corners with two equivalent Mo(1)NO3 tetrahedra, and corners with two equivalent Mo(2)NO3 tetrahedra. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one N(2), one O(1), one O(2), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one N(2), one O(4), and two equivalent O(2) atoms. Mg(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(2), one O(4), and two equivalent O(1) atoms to form MoNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra and corners with four equivalent Na(2)NO3 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(1), one O(3), and two equivalent O(2) atoms to form MoNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra and corners with four equivalent Na(2)NO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Na(1), two equivalent Na(2), and one Mo(2) atom to form distorted NNa3Mo tetrahedra that share corners with two equivalent O(3)Na3Mo tetrahedra, corners with two equivalent O(4)Na3Mo tetrahedra, and corners with four equivalent O(1)Na3Mo tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Na(4), two equivalent Na(3), one Mg(1), and one Mo(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra, corners with two equivalent O(1)Na3Mo tetrahedra, corners with two equivalent O(3)Na3Mo tetrahedra, and corners with two equivalent O(4)Na3Mo tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one Mo(2) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(3), and one Mo(2) atom to form distorted ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra and corners with four equivalent O(1)Na3Mo tetrahedra. In the fourth O site, O(4) is bonded to one Na(4), two equivalent Na(2), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra and corners with four equivalent O(1)Na3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6MgMo2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.536
_cell_length_c   7.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.435
_symmetry_Int_Tables_number   1
_cell_volume   276.276
_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
  Na  Na0  1  0.505  0.852  0.000  1.0
  Na  Na1  1  0.549  0.327  0.254  1.0
  Na  Na2  1  0.549  0.327  0.746  1.0
  Na  Na3  1  0.990  0.714  0.788  1.0
  Na  Na4  1  0.987  0.056  0.500  1.0
  Na  Na5  1  0.990  0.714  0.212  1.0
  Mg  Mg6  1  0.144  0.449  0.500  1.0
  Mo  Mo7  1  0.497  0.813  0.500  1.0
  Mo  Mo8  1  0.014  0.204  0.000  1.0
  N  N9  1  0.727  0.166  0.000  1.0
  N  N10  1  0.194  0.750  0.500  1.0
  O  O11  1  0.622  0.680  0.719  1.0
  O  O12  1  0.120  0.323  0.749  1.0
  O  O13  1  0.120  0.323  0.251  1.0
  O  O14  1  0.622  0.680  0.281  1.0
  O  O15  1  0.136  0.930  0.000  1.0
  O  O16  1  0.600  0.090  0.500  1.0
[/CIF]
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The material structure described by Na6MgMo2(NO3)2 crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one N(1), one O(3), and two equivalent O(1) atoms to form NaNO3 tetrahedra that share corners with two equivalent Mo(1)NO3 tetrahedra, corners with two equivalent Mo(2)NO3 tetrahedra, and corners with four equivalent Na(2)NO3 tetrahedra. In the second Na site, Na(2) is bonded to one N(1), one O(1), one O(2), and one O(4) atom to form distorted NaNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra, corners with two equivalent Na(2)NO3 tetrahedra, corners with two equivalent Mo(1)NO3 tetrahedra, and corners with two equivalent Mo(2)NO3 tetrahedra. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one N(2), one O(1), one O(2), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one N(2), one O(4), and two equivalent O(2) atoms. Mg(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(2), one O(4), and two equivalent O(1) atoms to form MoNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra and corners with four equivalent Na(2)NO3 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(1), one O(3), and two equivalent O(2) atoms to form MoNO3 tetrahedra that share corners with two equivalent Na(1)NO3 tetrahedra and corners with four equivalent Na(2)NO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Na(1), two equivalent Na(2), and one Mo(2) atom to form distorted NNa3Mo tetrahedra that share corners with two equivalent O(3)Na3Mo tetrahedra, corners with two equivalent O(4)Na3Mo tetrahedra, and corners with four equivalent O(1)Na3Mo tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Na(4), two equivalent Na(3), one Mg(1), and one Mo(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Na(3), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra, corners with two equivalent O(1)Na3Mo tetrahedra, corners with two equivalent O(3)Na3Mo tetrahedra, and corners with two equivalent O(4)Na3Mo tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one Mo(2) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(3), and one Mo(2) atom to form distorted ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra and corners with four equivalent O(1)Na3Mo tetrahedra. In the fourth O site, O(4) is bonded to one Na(4), two equivalent Na(2), and one Mo(1) atom to form ONa3Mo tetrahedra that share corners with two equivalent N(1)Na3Mo tetrahedra and corners with four equivalent O(1)Na3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6MgMo2(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.536
_cell_length_c   7.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.435
_symmetry_Int_Tables_number   1
_cell_volume   276.276
_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
  Na  Na0  1  0.505  0.852  0.000  1.0
  Na  Na1  1  0.549  0.327  0.254  1.0
  Na  Na2  1  0.549  0.327  0.746  1.0
  Na  Na3  1  0.990  0.714  0.788  1.0
  Na  Na4  1  0.987  0.056  0.500  1.0
  Na  Na5  1  0.990  0.714  0.212  1.0
  Mg  Mg6  1  0.144  0.449  0.500  1.0
  Mo  Mo7  1  0.497  0.813  0.500  1.0
  Mo  Mo8  1  0.014  0.204  0.000  1.0
  N  N9  1  0.727  0.166  0.000  1.0
  N  N10  1  0.194  0.750  0.500  1.0
  O  O11  1  0.622  0.680  0.719  1.0
  O  O12  1  0.120  0.323  0.749  1.0
  O  O13  1  0.120  0.323  0.251  1.0
  O  O14  1  0.622  0.680  0.281  1.0
  O  O15  1  0.136  0.930  0.000  1.0
  O  O16  1  0.600  0.090  0.500  1.0
[/CIF]
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