The compound described by NaV4Mn3O12 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NaO12 cuboctahedra that share faces with two equivalent V(1)O6 octahedra and faces with six equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 37-38°. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(1), one V(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), two equivalent V(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_NaMn3V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   6.499
_cell_length_c   6.437
_cell_angle_alpha   70.710
_cell_angle_beta   70.744
_cell_angle_gamma   109.676
_symmetry_Int_Tables_number   1
_cell_volume   209.717
_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  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  1.000  0.500  0.500  1.0
  V  V4  1  1.000  1.000  0.500  1.0
  V  V5  1  0.000  0.500  1.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.119  0.807  0.700  1.0
  O  O9  1  0.492  0.186  0.690  1.0
  O  O10  1  0.508  0.814  0.310  1.0
  O  O11  1  0.881  0.193  0.300  1.0
  O  O12  1  0.688  0.881  0.819  1.0
  O  O13  1  0.694  0.508  0.183  1.0
  O  O14  1  0.306  0.492  0.817  1.0
  O  O15  1  0.312  0.119  0.181  1.0
  O  O16  1  0.193  0.312  0.507  1.0
  O  O17  1  0.814  0.306  0.877  1.0
  O  O18  1  0.186  0.694  0.123  1.0
  O  O19  1  0.807  0.688  0.493  1.0
[/CIF]
.
The compound described by NaV4Mn3O12 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NaO12 cuboctahedra that share faces with two equivalent V(1)O6 octahedra and faces with six equivalent V(2)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 37-38°. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(1), one V(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), two equivalent V(2), and one Mn(1) atom. is represented by the CIF file [CIF]
data_NaMn3V4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.497
_cell_length_b   6.499
_cell_length_c   6.437
_cell_angle_alpha   70.710
_cell_angle_beta   70.744
_cell_angle_gamma   109.676
_symmetry_Int_Tables_number   1
_cell_volume   209.717
_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  0.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  1.000  0.500  0.500  1.0
  V  V4  1  1.000  1.000  0.500  1.0
  V  V5  1  0.000  0.500  1.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.119  0.807  0.700  1.0
  O  O9  1  0.492  0.186  0.690  1.0
  O  O10  1  0.508  0.814  0.310  1.0
  O  O11  1  0.881  0.193  0.300  1.0
  O  O12  1  0.688  0.881  0.819  1.0
  O  O13  1  0.694  0.508  0.183  1.0
  O  O14  1  0.306  0.492  0.817  1.0
  O  O15  1  0.312  0.119  0.181  1.0
  O  O16  1  0.193  0.312  0.507  1.0
  O  O17  1  0.814  0.306  0.877  1.0
  O  O18  1  0.186  0.694  0.123  1.0
  O  O19  1  0.807  0.688  0.493  1.0
[/CIF]
.