The compound described by V2Mn5(HO3)4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mn(3) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one Mn(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn5V2(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   5.481
_cell_angle_alpha   83.450
_cell_angle_beta   83.450
_cell_angle_gamma   89.383
_symmetry_Int_Tables_number   1
_cell_volume   257.109
_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
  Mn  Mn0  1  0.818  0.182  0.500  1.0
  Mn  Mn1  1  0.182  0.818  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.653  0.347  0.000  1.0
  Mn  Mn4  1  0.347  0.653  0.000  1.0
  V  V5  1  0.688  0.688  0.445  1.0
  V  V6  1  0.312  0.312  0.555  1.0
  H  H7  1  0.367  0.042  0.132  1.0
  H  H8  1  0.633  0.958  0.868  1.0
  H  H9  1  0.958  0.633  0.868  1.0
  H  H10  1  0.042  0.367  0.132  1.0
  O  O11  1  0.516  0.225  0.378  1.0
  O  O12  1  0.484  0.775  0.622  1.0
  O  O13  1  0.775  0.484  0.622  1.0
  O  O14  1  0.225  0.516  0.378  1.0
  O  O15  1  0.278  0.933  0.133  1.0
  O  O16  1  0.722  0.067  0.867  1.0
  O  O17  1  0.067  0.722  0.867  1.0
  O  O18  1  0.933  0.278  0.133  1.0
  O  O19  1  0.872  0.872  0.385  1.0
  O  O20  1  0.128  0.128  0.615  1.0
  O  O21  1  0.626  0.626  0.159  1.0
  O  O22  1  0.374  0.374  0.841  1.0
[/CIF]
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The compound described by V2Mn5(HO3)4 crystallizes in the monoclinic C2/m space group. V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mn(3) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Mn(1), and one Mn(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn5V2(HO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.894
_cell_length_b   6.894
_cell_length_c   5.481
_cell_angle_alpha   83.450
_cell_angle_beta   83.450
_cell_angle_gamma   89.383
_symmetry_Int_Tables_number   1
_cell_volume   257.109
_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
  Mn  Mn0  1  0.818  0.182  0.500  1.0
  Mn  Mn1  1  0.182  0.818  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.653  0.347  0.000  1.0
  Mn  Mn4  1  0.347  0.653  0.000  1.0
  V  V5  1  0.688  0.688  0.445  1.0
  V  V6  1  0.312  0.312  0.555  1.0
  H  H7  1  0.367  0.042  0.132  1.0
  H  H8  1  0.633  0.958  0.868  1.0
  H  H9  1  0.958  0.633  0.868  1.0
  H  H10  1  0.042  0.367  0.132  1.0
  O  O11  1  0.516  0.225  0.378  1.0
  O  O12  1  0.484  0.775  0.622  1.0
  O  O13  1  0.775  0.484  0.622  1.0
  O  O14  1  0.225  0.516  0.378  1.0
  O  O15  1  0.278  0.933  0.133  1.0
  O  O16  1  0.722  0.067  0.867  1.0
  O  O17  1  0.067  0.722  0.867  1.0
  O  O18  1  0.933  0.278  0.133  1.0
  O  O19  1  0.872  0.872  0.385  1.0
  O  O20  1  0.128  0.128  0.615  1.0
  O  O21  1  0.626  0.626  0.159  1.0
  O  O22  1  0.374  0.374  0.841  1.0
[/CIF]
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