The structure described by K2MgV2Mn3(HO5)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent H(1), one O(2), one O(3), one O(4), and three equivalent O(5) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent K(1), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Mn(1)O6 octahedra. H(1) is bonded in a single-bond geometry to two equivalent K(1), one O(1), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one V(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one V(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one Mg(1), one V(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to three equivalent K(1), one Mg(1), one V(1), and one H(1) atom. is represented by the CIF card [CIF]
data_K2MgMn3V2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.650
_cell_length_b   7.967
_cell_length_c   5.489
_cell_angle_alpha   71.628
_cell_angle_beta   87.497
_cell_angle_gamma   68.966
_symmetry_Int_Tables_number   1
_cell_volume   256.799
_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
  K  K0  1  0.874  0.479  0.769  1.0
  K  K1  1  0.126  0.521  0.231  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.266  0.987  0.500  1.0
  Mn  Mn4  1  0.734  0.013  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.607  0.774  0.097  1.0
  V  V7  1  0.393  0.226  0.903  1.0
  H  H8  1  0.134  0.716  0.740  1.0
  H  H9  1  0.866  0.284  0.260  1.0
  O  O10  1  0.053  0.850  0.733  1.0
  O  O11  1  0.576  0.824  0.753  1.0
  O  O12  1  0.793  0.851  0.219  1.0
  O  O13  1  0.351  0.782  0.275  1.0
  O  O14  1  0.270  0.488  0.741  1.0
  O  O15  1  0.730  0.512  0.259  1.0
  O  O16  1  0.207  0.149  0.781  1.0
  O  O17  1  0.649  0.218  0.725  1.0
  O  O18  1  0.424  0.176  0.247  1.0
  O  O19  1  0.947  0.150  0.267  1.0
[/CIF]
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The structure described by K2MgV2Mn3(HO5)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent H(1), one O(2), one O(3), one O(4), and three equivalent O(5) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent K(1), two equivalent O(4), and two equivalent O(5) atoms. V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with four equivalent Mn(1)O6 octahedra. H(1) is bonded in a single-bond geometry to two equivalent K(1), one O(1), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one V(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one V(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one Mg(1), one V(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to three equivalent K(1), one Mg(1), one V(1), and one H(1) atom. is represented by the CIF card [CIF]
data_K2MgMn3V2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.650
_cell_length_b   7.967
_cell_length_c   5.489
_cell_angle_alpha   71.628
_cell_angle_beta   87.497
_cell_angle_gamma   68.966
_symmetry_Int_Tables_number   1
_cell_volume   256.799
_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
  K  K0  1  0.874  0.479  0.769  1.0
  K  K1  1  0.126  0.521  0.231  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.266  0.987  0.500  1.0
  Mn  Mn4  1  0.734  0.013  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.607  0.774  0.097  1.0
  V  V7  1  0.393  0.226  0.903  1.0
  H  H8  1  0.134  0.716  0.740  1.0
  H  H9  1  0.866  0.284  0.260  1.0
  O  O10  1  0.053  0.850  0.733  1.0
  O  O11  1  0.576  0.824  0.753  1.0
  O  O12  1  0.793  0.851  0.219  1.0
  O  O13  1  0.351  0.782  0.275  1.0
  O  O14  1  0.270  0.488  0.741  1.0
  O  O15  1  0.730  0.512  0.259  1.0
  O  O16  1  0.207  0.149  0.781  1.0
  O  O17  1  0.649  0.218  0.725  1.0
  O  O18  1  0.424  0.176  0.247  1.0
  O  O19  1  0.947  0.150  0.267  1.0
[/CIF]
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