The material described by Mn5P3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(2), four equivalent O(1), and one Cl(1) atom to form distorted MnClO5 pentagonal pyramids that share corners with six equivalent Mn(2)ClO5 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(2)ClO5 pentagonal pyramids and  an edgeedge with one Mn(2)ClO5 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one P(1) atom. In the third O site, O(2) is bonded to one Mn(2), two equivalent Mn(1), and one P(1) atom to form distorted edge-sharing OMn3P tetrahedra. Cl(1) is bonded in a trigonal planar geometry to three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn5P3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.664
_cell_length_b   9.664
_cell_length_c   6.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   508.059
_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
  Mn  Mn0  1  0.333  0.667  0.006  1.0
  Mn  Mn1  1  0.667  0.333  0.994  1.0
  Mn  Mn2  1  0.667  0.333  0.506  1.0
  Mn  Mn3  1  0.333  0.667  0.494  1.0
  Mn  Mn4  1  0.278  0.243  0.250  1.0
  Mn  Mn5  1  0.722  0.757  0.750  1.0
  Mn  Mn6  1  0.757  0.035  0.250  1.0
  Mn  Mn7  1  0.243  0.965  0.750  1.0
  Mn  Mn8  1  0.965  0.722  0.250  1.0
  Mn  Mn9  1  0.035  0.278  0.750  1.0
  P  P10  1  0.407  0.026  0.250  1.0
  P  P11  1  0.593  0.974  0.750  1.0
  P  P12  1  0.974  0.381  0.250  1.0
  P  P13  1  0.026  0.619  0.750  1.0
  P  P14  1  0.619  0.593  0.250  1.0
  P  P15  1  0.381  0.407  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.250  1.0
  Cl  Cl17  1  0.000  0.000  0.750  1.0
  O  O18  1  0.344  0.075  0.053  1.0
  O  O19  1  0.656  0.925  0.947  1.0
  O  O20  1  0.925  0.269  0.053  1.0
  O  O21  1  0.656  0.925  0.553  1.0
  O  O22  1  0.075  0.731  0.947  1.0
  O  O23  1  0.344  0.075  0.447  1.0
  O  O24  1  0.731  0.656  0.053  1.0
  O  O25  1  0.075  0.731  0.553  1.0
  O  O26  1  0.269  0.344  0.947  1.0
  O  O27  1  0.925  0.269  0.447  1.0
  O  O28  1  0.269  0.344  0.553  1.0
  O  O29  1  0.731  0.656  0.447  1.0
  O  O30  1  0.595  0.137  0.250  1.0
  O  O31  1  0.405  0.863  0.750  1.0
  O  O32  1  0.863  0.458  0.250  1.0
  O  O33  1  0.137  0.542  0.750  1.0
  O  O34  1  0.542  0.405  0.250  1.0
  O  O35  1  0.458  0.595  0.750  1.0
  O  O36  1  0.152  0.512  0.250  1.0
  O  O37  1  0.848  0.488  0.750  1.0
  O  O38  1  0.488  0.639  0.250  1.0
  O  O39  1  0.512  0.361  0.750  1.0
  O  O40  1  0.361  0.848  0.250  1.0
  O  O41  1  0.639  0.152  0.750  1.0
[/CIF]
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The material described by Mn5P3O12Cl crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(2), four equivalent O(1), and one Cl(1) atom to form distorted MnClO5 pentagonal pyramids that share corners with six equivalent Mn(2)ClO5 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(2)ClO5 pentagonal pyramids and  an edgeedge with one Mn(2)ClO5 pentagonal pyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one P(1) atom. In the third O site, O(2) is bonded to one Mn(2), two equivalent Mn(1), and one P(1) atom to form distorted edge-sharing OMn3P tetrahedra. Cl(1) is bonded in a trigonal planar geometry to three equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn5P3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.664
_cell_length_b   9.664
_cell_length_c   6.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   508.059
_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
  Mn  Mn0  1  0.333  0.667  0.006  1.0
  Mn  Mn1  1  0.667  0.333  0.994  1.0
  Mn  Mn2  1  0.667  0.333  0.506  1.0
  Mn  Mn3  1  0.333  0.667  0.494  1.0
  Mn  Mn4  1  0.278  0.243  0.250  1.0
  Mn  Mn5  1  0.722  0.757  0.750  1.0
  Mn  Mn6  1  0.757  0.035  0.250  1.0
  Mn  Mn7  1  0.243  0.965  0.750  1.0
  Mn  Mn8  1  0.965  0.722  0.250  1.0
  Mn  Mn9  1  0.035  0.278  0.750  1.0
  P  P10  1  0.407  0.026  0.250  1.0
  P  P11  1  0.593  0.974  0.750  1.0
  P  P12  1  0.974  0.381  0.250  1.0
  P  P13  1  0.026  0.619  0.750  1.0
  P  P14  1  0.619  0.593  0.250  1.0
  P  P15  1  0.381  0.407  0.750  1.0
  Cl  Cl16  1  0.000  0.000  0.250  1.0
  Cl  Cl17  1  0.000  0.000  0.750  1.0
  O  O18  1  0.344  0.075  0.053  1.0
  O  O19  1  0.656  0.925  0.947  1.0
  O  O20  1  0.925  0.269  0.053  1.0
  O  O21  1  0.656  0.925  0.553  1.0
  O  O22  1  0.075  0.731  0.947  1.0
  O  O23  1  0.344  0.075  0.447  1.0
  O  O24  1  0.731  0.656  0.053  1.0
  O  O25  1  0.075  0.731  0.553  1.0
  O  O26  1  0.269  0.344  0.947  1.0
  O  O27  1  0.925  0.269  0.447  1.0
  O  O28  1  0.269  0.344  0.553  1.0
  O  O29  1  0.731  0.656  0.447  1.0
  O  O30  1  0.595  0.137  0.250  1.0
  O  O31  1  0.405  0.863  0.750  1.0
  O  O32  1  0.863  0.458  0.250  1.0
  O  O33  1  0.137  0.542  0.750  1.0
  O  O34  1  0.542  0.405  0.250  1.0
  O  O35  1  0.458  0.595  0.750  1.0
  O  O36  1  0.152  0.512  0.250  1.0
  O  O37  1  0.848  0.488  0.750  1.0
  O  O38  1  0.488  0.639  0.250  1.0
  O  O39  1  0.512  0.361  0.750  1.0
  O  O40  1  0.361  0.848  0.250  1.0
  O  O41  1  0.639  0.152  0.750  1.0
[/CIF]
.