The crystal structure described by Mn2P4O13 crystallizes in the orthorhombic C222_1 space group. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.794
_cell_length_c   8.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.011
_symmetry_Int_Tables_number   1
_cell_volume   474.605
_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  0.585  0.876  0.137  1.0
  Mn  Mn1  1  0.124  0.415  0.363  1.0
  Mn  Mn2  1  0.876  0.585  0.863  1.0
  Mn  Mn3  1  0.415  0.124  0.637  1.0
  P  P4  1  0.722  0.841  0.779  1.0
  P  P5  1  0.159  0.278  0.721  1.0
  P  P6  1  0.058  0.386  0.008  1.0
  P  P7  1  0.614  0.942  0.492  1.0
  P  P8  1  0.386  0.058  0.992  1.0
  P  P9  1  0.942  0.614  0.508  1.0
  P  P10  1  0.278  0.159  0.279  1.0
  P  P11  1  0.841  0.722  0.221  1.0
  O  O12  1  0.254  0.309  0.313  1.0
  O  O13  1  0.691  0.746  0.187  1.0
  O  O14  1  0.939  0.061  0.750  1.0
  O  O15  1  0.209  0.380  0.894  1.0
  O  O16  1  0.620  0.791  0.606  1.0
  O  O17  1  0.155  0.402  0.599  1.0
  O  O18  1  0.598  0.845  0.901  1.0
  O  O19  1  0.892  0.180  0.081  1.0
  O  O20  1  0.820  0.108  0.419  1.0
  O  O21  1  0.461  0.793  0.358  1.0
  O  O22  1  0.207  0.539  0.142  1.0
  O  O23  1  0.528  0.001  0.610  1.0
  O  O24  1  0.999  0.472  0.890  1.0
  O  O25  1  0.472  0.999  0.110  1.0
  O  O26  1  0.001  0.528  0.390  1.0
  O  O27  1  0.539  0.207  0.858  1.0
  O  O28  1  0.793  0.461  0.642  1.0
  O  O29  1  0.108  0.820  0.581  1.0
  O  O30  1  0.180  0.892  0.919  1.0
  O  O31  1  0.845  0.598  0.099  1.0
  O  O32  1  0.402  0.155  0.401  1.0
  O  O33  1  0.380  0.209  0.106  1.0
  O  O34  1  0.791  0.620  0.394  1.0
  O  O35  1  0.061  0.939  0.250  1.0
  O  O36  1  0.309  0.254  0.687  1.0
  O  O37  1  0.746  0.691  0.813  1.0
[/CIF]
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The crystal structure described by Mn2P4O13 crystallizes in the orthorhombic C222_1 space group. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.794
_cell_length_c   8.259
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.011
_symmetry_Int_Tables_number   1
_cell_volume   474.605
_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  0.585  0.876  0.137  1.0
  Mn  Mn1  1  0.124  0.415  0.363  1.0
  Mn  Mn2  1  0.876  0.585  0.863  1.0
  Mn  Mn3  1  0.415  0.124  0.637  1.0
  P  P4  1  0.722  0.841  0.779  1.0
  P  P5  1  0.159  0.278  0.721  1.0
  P  P6  1  0.058  0.386  0.008  1.0
  P  P7  1  0.614  0.942  0.492  1.0
  P  P8  1  0.386  0.058  0.992  1.0
  P  P9  1  0.942  0.614  0.508  1.0
  P  P10  1  0.278  0.159  0.279  1.0
  P  P11  1  0.841  0.722  0.221  1.0
  O  O12  1  0.254  0.309  0.313  1.0
  O  O13  1  0.691  0.746  0.187  1.0
  O  O14  1  0.939  0.061  0.750  1.0
  O  O15  1  0.209  0.380  0.894  1.0
  O  O16  1  0.620  0.791  0.606  1.0
  O  O17  1  0.155  0.402  0.599  1.0
  O  O18  1  0.598  0.845  0.901  1.0
  O  O19  1  0.892  0.180  0.081  1.0
  O  O20  1  0.820  0.108  0.419  1.0
  O  O21  1  0.461  0.793  0.358  1.0
  O  O22  1  0.207  0.539  0.142  1.0
  O  O23  1  0.528  0.001  0.610  1.0
  O  O24  1  0.999  0.472  0.890  1.0
  O  O25  1  0.472  0.999  0.110  1.0
  O  O26  1  0.001  0.528  0.390  1.0
  O  O27  1  0.539  0.207  0.858  1.0
  O  O28  1  0.793  0.461  0.642  1.0
  O  O29  1  0.108  0.820  0.581  1.0
  O  O30  1  0.180  0.892  0.919  1.0
  O  O31  1  0.845  0.598  0.099  1.0
  O  O32  1  0.402  0.155  0.401  1.0
  O  O33  1  0.380  0.209  0.106  1.0
  O  O34  1  0.791  0.620  0.394  1.0
  O  O35  1  0.061  0.939  0.250  1.0
  O  O36  1  0.309  0.254  0.687  1.0
  O  O37  1  0.746  0.691  0.813  1.0
[/CIF]
.