The material described by VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. V(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent O(2) atoms. Mn(1) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a 4-coordinate geometry to one Mn(1), one H(1), one O(2), and one O(5) atom. H(1) is bonded in a distorted T-shaped geometry to one V(1), one P(1), and one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one H(1), one O(3), and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mn(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one O(1), and one O(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.250
_cell_length_c   7.233
_cell_angle_alpha   109.600
_cell_angle_beta   105.565
_cell_angle_gamma   98.836
_symmetry_Int_Tables_number   1
_cell_volume   170.912
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.103  0.435  0.224  1.0
  P  P3  1  0.897  0.565  0.776  1.0
  H  H4  1  0.312  0.636  0.332  1.0
  H  H5  1  0.688  0.364  0.668  1.0
  O  O6  1  0.419  0.247  0.723  1.0
  O  O7  1  0.910  0.437  0.380  1.0
  O  O8  1  0.070  0.996  0.656  1.0
  O  O9  1  0.577  0.708  0.060  1.0
  O  O10  1  0.995  0.563  0.118  1.0
  O  O11  1  0.005  0.437  0.882  1.0
  O  O12  1  0.423  0.292  0.940  1.0
  O  O13  1  0.930  0.004  0.344  1.0
  O  O14  1  0.090  0.563  0.620  1.0
  O  O15  1  0.581  0.753  0.277  1.0
[/CIF]
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The material described by VMnP2(HO5)2 crystallizes in the triclinic P-1 space group. V(1) is bonded in a 4-coordinate geometry to two equivalent H(1) and two equivalent O(2) atoms. Mn(1) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a 4-coordinate geometry to one Mn(1), one H(1), one O(2), and one O(5) atom. H(1) is bonded in a distorted T-shaped geometry to one V(1), one P(1), and one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one H(1), one O(3), and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mn(1) and one O(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one O(1), and one O(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MnVP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.250
_cell_length_c   7.233
_cell_angle_alpha   109.600
_cell_angle_beta   105.565
_cell_angle_gamma   98.836
_symmetry_Int_Tables_number   1
_cell_volume   170.912
_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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  P  P2  1  0.103  0.435  0.224  1.0
  P  P3  1  0.897  0.565  0.776  1.0
  H  H4  1  0.312  0.636  0.332  1.0
  H  H5  1  0.688  0.364  0.668  1.0
  O  O6  1  0.419  0.247  0.723  1.0
  O  O7  1  0.910  0.437  0.380  1.0
  O  O8  1  0.070  0.996  0.656  1.0
  O  O9  1  0.577  0.708  0.060  1.0
  O  O10  1  0.995  0.563  0.118  1.0
  O  O11  1  0.005  0.437  0.882  1.0
  O  O12  1  0.423  0.292  0.940  1.0
  O  O13  1  0.930  0.004  0.344  1.0
  O  O14  1  0.090  0.563  0.620  1.0
  O  O15  1  0.581  0.753  0.277  1.0
[/CIF]
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