The material structure described by Na5MoNO4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Mo(1)NO4 trigonal bipyramids and edges with two equivalent Na(1)O4 trigonal pyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(1) and four equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded to one N(1) and four equivalent O(1) atoms to form distorted MoNO4 trigonal bipyramids that share corners with eight equivalent Na(1)O4 trigonal pyramids. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Mo(1) atom. O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Mo(1) atom to form a mixture of edge, corner, and face-sharing ONa5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-39°. is represented by the CIF card [CIF]
data_Na5MoNO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   5.773
_cell_length_c   10.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.161
_symmetry_Int_Tables_number   1
_cell_volume   315.468
_cell_formula_units_Z   2
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  0.191  0.809  0.500  1.0
  Na  Na1  1  0.191  0.809  0.000  1.0
  Na  Na2  1  0.545  0.169  0.750  1.0
  Na  Na3  1  0.169  0.545  0.750  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Na  Na5  1  0.809  0.191  0.500  1.0
  Na  Na6  1  0.809  0.191  0.000  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Na  Na8  1  0.455  0.831  0.250  1.0
  Na  Na9  1  0.831  0.455  0.250  1.0
  Mo  Mo10  1  0.208  0.208  0.250  1.0
  Mo  Mo11  1  0.792  0.792  0.750  1.0
  N  N12  1  0.907  0.907  0.250  1.0
  N  N13  1  0.093  0.093  0.750  1.0
  O  O14  1  0.835  0.559  0.627  1.0
  O  O15  1  0.559  0.835  0.627  1.0
  O  O16  1  0.165  0.441  0.373  1.0
  O  O17  1  0.441  0.165  0.373  1.0
  O  O18  1  0.441  0.165  0.127  1.0
  O  O19  1  0.165  0.441  0.127  1.0
  O  O20  1  0.559  0.835  0.873  1.0
  O  O21  1  0.835  0.559  0.873  1.0
[/CIF]
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The material structure described by Na5MoNO4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Mo(1)NO4 trigonal bipyramids and edges with two equivalent Na(1)O4 trigonal pyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(1) and four equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded to one N(1) and four equivalent O(1) atoms to form distorted MoNO4 trigonal bipyramids that share corners with eight equivalent Na(1)O4 trigonal pyramids. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Mo(1) atom. O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Mo(1) atom to form a mixture of edge, corner, and face-sharing ONa5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-39°. is represented by the CIF card [CIF]
data_Na5MoNO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.773
_cell_length_b   5.773
_cell_length_c   10.841
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.161
_symmetry_Int_Tables_number   1
_cell_volume   315.468
_cell_formula_units_Z   2
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  0.191  0.809  0.500  1.0
  Na  Na1  1  0.191  0.809  0.000  1.0
  Na  Na2  1  0.545  0.169  0.750  1.0
  Na  Na3  1  0.169  0.545  0.750  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Na  Na5  1  0.809  0.191  0.500  1.0
  Na  Na6  1  0.809  0.191  0.000  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Na  Na8  1  0.455  0.831  0.250  1.0
  Na  Na9  1  0.831  0.455  0.250  1.0
  Mo  Mo10  1  0.208  0.208  0.250  1.0
  Mo  Mo11  1  0.792  0.792  0.750  1.0
  N  N12  1  0.907  0.907  0.250  1.0
  N  N13  1  0.093  0.093  0.750  1.0
  O  O14  1  0.835  0.559  0.627  1.0
  O  O15  1  0.559  0.835  0.627  1.0
  O  O16  1  0.165  0.441  0.373  1.0
  O  O17  1  0.441  0.165  0.373  1.0
  O  O18  1  0.441  0.165  0.127  1.0
  O  O19  1  0.165  0.441  0.127  1.0
  O  O20  1  0.559  0.835  0.873  1.0
  O  O21  1  0.835  0.559  0.873  1.0
[/CIF]
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