The material structure described by BaV2Mn(AgO4)2 crystallizes in the trigonal P-3 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent V(1)O4 tetrahedra, edges with six equivalent Ag(1)O4 trigonal pyramids, and faces with two equivalent Mn(1)O6 octahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Ag(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, corners with six equivalent Ag(1)O4 trigonal pyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. Ag(1) is bonded to one O(1) and three equivalent O(2) atoms to form AgO4 trigonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 76°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one V(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one Mn(1), and one Ag(1) atom. is represented by the CIF card [CIF]
data_BaMnV2(AgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.635
_cell_length_c   7.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   205.467
_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
  Ag  Ag0  1  0.667  0.333  0.691  1.0
  Ag  Ag1  1  0.333  0.667  0.309  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  1.000  1.000  0.500  1.0
  O  O4  1  0.333  0.667  0.981  1.0
  O  O5  1  0.667  0.333  0.019  1.0
  O  O6  1  0.253  0.918  0.682  1.0
  O  O7  1  0.082  0.335  0.682  1.0
  O  O8  1  0.665  0.747  0.682  1.0
  O  O9  1  0.747  0.082  0.318  1.0
  O  O10  1  0.335  0.253  0.318  1.0
  O  O11  1  0.918  0.665  0.318  1.0
  V  V12  1  0.333  0.667  0.752  1.0
  V  V13  1  0.667  0.333  0.248  1.0
[/CIF]
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The material structure described by BaV2Mn(AgO4)2 crystallizes in the trigonal P-3 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with six equivalent V(1)O4 tetrahedra, edges with six equivalent Ag(1)O4 trigonal pyramids, and faces with two equivalent Mn(1)O6 octahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent Ag(1)O4 trigonal pyramids, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, corners with six equivalent Ag(1)O4 trigonal pyramids, and faces with two equivalent Ba(1)O12 cuboctahedra. Ag(1) is bonded to one O(1) and three equivalent O(2) atoms to form AgO4 trigonal pyramids that share corners with three equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 76°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one V(1), and one Ag(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one V(1), one Mn(1), and one Ag(1) atom. is represented by the CIF card [CIF]
data_BaMnV2(AgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.635
_cell_length_c   7.473
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   205.467
_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
  Ag  Ag0  1  0.667  0.333  0.691  1.0
  Ag  Ag1  1  0.333  0.667  0.309  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  1.000  1.000  0.500  1.0
  O  O4  1  0.333  0.667  0.981  1.0
  O  O5  1  0.667  0.333  0.019  1.0
  O  O6  1  0.253  0.918  0.682  1.0
  O  O7  1  0.082  0.335  0.682  1.0
  O  O8  1  0.665  0.747  0.682  1.0
  O  O9  1  0.747  0.082  0.318  1.0
  O  O10  1  0.335  0.253  0.318  1.0
  O  O11  1  0.918  0.665  0.318  1.0
  V  V12  1  0.333  0.667  0.752  1.0
  V  V13  1  0.667  0.333  0.248  1.0
[/CIF]
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