The compound described by Na3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Mn(1) atoms to form distorted NaNa8Mn4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Mn4 cuboctahedra, edges with eight equivalent Na(1)Na8Mn4 cuboctahedra, edges with eight equivalent Mn(1)Na12 cuboctahedra, faces with four equivalent Mn(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Mn4 cuboctahedra. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to eight equivalent Na(1) and four equivalent Mn(1) atoms. Mn(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form MnNa12 cuboctahedra that share corners with four equivalent Mn(1)Na12 cuboctahedra, edges with eight equivalent Mn(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Mn4 cuboctahedra, faces with four equivalent Mn(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Mn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.124
_cell_length_c   6.124
_cell_angle_alpha   134.191
_cell_angle_beta   134.191
_cell_angle_gamma   66.790
_symmetry_Int_Tables_number   1
_cell_volume   116.201
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), and four equivalent Mn(1) atoms to form distorted NaNa8Mn4 cuboctahedra that share corners with twelve equivalent Na(1)Na8Mn4 cuboctahedra, edges with eight equivalent Na(1)Na8Mn4 cuboctahedra, edges with eight equivalent Mn(1)Na12 cuboctahedra, faces with four equivalent Mn(1)Na12 cuboctahedra, and faces with ten equivalent Na(1)Na8Mn4 cuboctahedra. In the second Na site, Na(2) is bonded in a distorted square co-planar geometry to eight equivalent Na(1) and four equivalent Mn(1) atoms. Mn(1) is bonded to four equivalent Na(2) and eight equivalent Na(1) atoms to form MnNa12 cuboctahedra that share corners with four equivalent Mn(1)Na12 cuboctahedra, edges with eight equivalent Mn(1)Na12 cuboctahedra, edges with sixteen equivalent Na(1)Na8Mn4 cuboctahedra, faces with four equivalent Mn(1)Na12 cuboctahedra, and faces with eight equivalent Na(1)Na8Mn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.124
_cell_length_c   6.124
_cell_angle_alpha   134.191
_cell_angle_beta   134.191
_cell_angle_gamma   66.790
_symmetry_Int_Tables_number   1
_cell_volume   116.201
_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  0.750  0.250  0.500  1.0
  Na  Na1  1  0.250  0.750  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
[/CIF]
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