The compound described by Mn2PHO3F2 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form MnO3F3 octahedra that share corners with five equivalent Mn(1)O3F3 octahedra, corners with three equivalent P(1)HO3 tetrahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with six equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn2PHO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   7.572
_cell_length_c   10.170
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.870
_cell_formula_units_Z   4
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  0.252  0.597  0.438  1.0
  Mn  Mn1  1  0.248  0.097  0.062  1.0
  Mn  Mn2  1  0.748  0.403  0.938  1.0
  Mn  Mn3  1  0.752  0.903  0.562  1.0
  Mn  Mn4  1  0.748  0.403  0.562  1.0
  Mn  Mn5  1  0.752  0.903  0.938  1.0
  Mn  Mn6  1  0.252  0.597  0.062  1.0
  Mn  Mn7  1  0.248  0.097  0.438  1.0
  P  P8  1  0.417  0.666  0.750  1.0
  P  P9  1  0.083  0.166  0.750  1.0
  P  P10  1  0.583  0.334  0.250  1.0
  P  P11  1  0.917  0.834  0.250  1.0
  H  H12  1  0.185  0.739  0.750  1.0
  H  H13  1  0.315  0.239  0.750  1.0
  H  H14  1  0.815  0.261  0.250  1.0
  H  H15  1  0.685  0.761  0.250  1.0
  O  O16  1  0.441  0.553  0.626  1.0
  O  O17  1  0.059  0.053  0.874  1.0
  O  O18  1  0.559  0.447  0.126  1.0
  O  O19  1  0.941  0.947  0.374  1.0
  O  O20  1  0.559  0.447  0.374  1.0
  O  O21  1  0.941  0.947  0.126  1.0
  O  O22  1  0.441  0.553  0.874  1.0
  O  O23  1  0.059  0.053  0.626  1.0
  O  O24  1  0.101  0.681  0.250  1.0
  O  O25  1  0.399  0.181  0.250  1.0
  O  O26  1  0.899  0.319  0.750  1.0
  O  O27  1  0.601  0.819  0.750  1.0
  F  F28  1  0.428  0.845  0.454  1.0
  F  F29  1  0.072  0.345  0.046  1.0
  F  F30  1  0.572  0.155  0.954  1.0
  F  F31  1  0.928  0.655  0.546  1.0
  F  F32  1  0.572  0.155  0.546  1.0
  F  F33  1  0.928  0.655  0.954  1.0
  F  F34  1  0.428  0.845  0.046  1.0
  F  F35  1  0.072  0.345  0.454  1.0
[/CIF]
.
The compound described by Mn2PHO3F2 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form MnO3F3 octahedra that share corners with five equivalent Mn(1)O3F3 octahedra, corners with three equivalent P(1)HO3 tetrahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. P(1) is bonded to one H(1), one O(2), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with six equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. H(1) is bonded in a single-bond geometry to one P(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn2PHO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.504
_cell_length_b   7.572
_cell_length_c   10.170
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.870
_cell_formula_units_Z   4
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  0.252  0.597  0.438  1.0
  Mn  Mn1  1  0.248  0.097  0.062  1.0
  Mn  Mn2  1  0.748  0.403  0.938  1.0
  Mn  Mn3  1  0.752  0.903  0.562  1.0
  Mn  Mn4  1  0.748  0.403  0.562  1.0
  Mn  Mn5  1  0.752  0.903  0.938  1.0
  Mn  Mn6  1  0.252  0.597  0.062  1.0
  Mn  Mn7  1  0.248  0.097  0.438  1.0
  P  P8  1  0.417  0.666  0.750  1.0
  P  P9  1  0.083  0.166  0.750  1.0
  P  P10  1  0.583  0.334  0.250  1.0
  P  P11  1  0.917  0.834  0.250  1.0
  H  H12  1  0.185  0.739  0.750  1.0
  H  H13  1  0.315  0.239  0.750  1.0
  H  H14  1  0.815  0.261  0.250  1.0
  H  H15  1  0.685  0.761  0.250  1.0
  O  O16  1  0.441  0.553  0.626  1.0
  O  O17  1  0.059  0.053  0.874  1.0
  O  O18  1  0.559  0.447  0.126  1.0
  O  O19  1  0.941  0.947  0.374  1.0
  O  O20  1  0.559  0.447  0.374  1.0
  O  O21  1  0.941  0.947  0.126  1.0
  O  O22  1  0.441  0.553  0.874  1.0
  O  O23  1  0.059  0.053  0.626  1.0
  O  O24  1  0.101  0.681  0.250  1.0
  O  O25  1  0.399  0.181  0.250  1.0
  O  O26  1  0.899  0.319  0.750  1.0
  O  O27  1  0.601  0.819  0.750  1.0
  F  F28  1  0.428  0.845  0.454  1.0
  F  F29  1  0.072  0.345  0.046  1.0
  F  F30  1  0.572  0.155  0.954  1.0
  F  F31  1  0.928  0.655  0.546  1.0
  F  F32  1  0.572  0.155  0.546  1.0
  F  F33  1  0.928  0.655  0.954  1.0
  F  F34  1  0.428  0.845  0.046  1.0
  F  F35  1  0.072  0.345  0.454  1.0
[/CIF]
.