The compound described by KMn2O(PO4)(HPO4) crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, 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(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. In the second P site, P(2) is bonded to one O(2), one O(7), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMn2P2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.782
_cell_length_b   6.567
_cell_length_c   8.945
_cell_angle_alpha   70.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.401
_cell_formula_units_Z   2
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  0.250  0.928  0.201  1.0
  K  K1  1  0.750  0.072  0.799  1.0
  Mn  Mn2  1  0.250  0.468  0.709  1.0
  Mn  Mn3  1  0.750  0.532  0.291  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.250  0.902  0.810  1.0
  P  P7  1  0.750  0.593  0.641  1.0
  P  P8  1  0.250  0.407  0.359  1.0
  P  P9  1  0.750  0.098  0.190  1.0
  H  H10  1  0.750  0.023  0.452  1.0
  H  H11  1  0.250  0.977  0.548  1.0
  O  O12  1  0.437  0.810  0.910  1.0
  O  O13  1  0.063  0.810  0.910  1.0
  O  O14  1  0.750  0.840  0.584  1.0
  O  O15  1  0.250  0.832  0.656  1.0
  O  O16  1  0.750  0.854  0.244  1.0
  O  O17  1  0.250  0.426  0.933  1.0
  O  O18  1  0.934  0.496  0.749  1.0
  O  O19  1  0.566  0.496  0.749  1.0
  O  O20  1  0.250  0.518  0.488  1.0
  O  O21  1  0.750  0.482  0.512  1.0
  O  O22  1  0.434  0.504  0.251  1.0
  O  O23  1  0.066  0.504  0.251  1.0
  O  O24  1  0.750  0.574  0.067  1.0
  O  O25  1  0.250  0.146  0.756  1.0
  O  O26  1  0.750  0.168  0.344  1.0
  O  O27  1  0.250  0.160  0.416  1.0
  O  O28  1  0.937  0.190  0.090  1.0
  O  O29  1  0.563  0.190  0.090  1.0
[/CIF]
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The compound described by KMn2O(PO4)(HPO4) crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(6), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, 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(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. In the second P site, P(2) is bonded to one O(2), one O(7), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(2), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KMn2P2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.782
_cell_length_b   6.567
_cell_length_c   8.945
_cell_angle_alpha   70.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.401
_cell_formula_units_Z   2
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  0.250  0.928  0.201  1.0
  K  K1  1  0.750  0.072  0.799  1.0
  Mn  Mn2  1  0.250  0.468  0.709  1.0
  Mn  Mn3  1  0.750  0.532  0.291  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.250  0.902  0.810  1.0
  P  P7  1  0.750  0.593  0.641  1.0
  P  P8  1  0.250  0.407  0.359  1.0
  P  P9  1  0.750  0.098  0.190  1.0
  H  H10  1  0.750  0.023  0.452  1.0
  H  H11  1  0.250  0.977  0.548  1.0
  O  O12  1  0.437  0.810  0.910  1.0
  O  O13  1  0.063  0.810  0.910  1.0
  O  O14  1  0.750  0.840  0.584  1.0
  O  O15  1  0.250  0.832  0.656  1.0
  O  O16  1  0.750  0.854  0.244  1.0
  O  O17  1  0.250  0.426  0.933  1.0
  O  O18  1  0.934  0.496  0.749  1.0
  O  O19  1  0.566  0.496  0.749  1.0
  O  O20  1  0.250  0.518  0.488  1.0
  O  O21  1  0.750  0.482  0.512  1.0
  O  O22  1  0.434  0.504  0.251  1.0
  O  O23  1  0.066  0.504  0.251  1.0
  O  O24  1  0.750  0.574  0.067  1.0
  O  O25  1  0.250  0.146  0.756  1.0
  O  O26  1  0.750  0.168  0.344  1.0
  O  O27  1  0.250  0.160  0.416  1.0
  O  O28  1  0.937  0.190  0.090  1.0
  O  O29  1  0.563  0.190  0.090  1.0
[/CIF]
.