The material structure described by Mn4(PO4)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(2)O5 square pyramids, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(4)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(3), and one O(9) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(4)O5 square pyramid. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid, and  an edgeedge with one Mn(3)O5 square pyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mn(4) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one P(2) atom. is represented by the CIF file [CIF]
data_Mn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   9.873
_cell_angle_alpha   64.409
_cell_angle_beta   64.409
_cell_angle_gamma   60.184
_symmetry_Int_Tables_number   1
_cell_volume   536.168
_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  0.711  0.208  0.868  1.0
  Mn  Mn1  1  0.731  0.038  0.532  1.0
  Mn  Mn2  1  0.536  0.694  0.540  1.0
  Mn  Mn3  1  0.194  0.233  0.535  1.0
  Mn  Mn4  1  0.694  0.536  0.040  1.0
  Mn  Mn5  1  0.233  0.194  0.035  1.0
  Mn  Mn6  1  0.208  0.711  0.368  1.0
  Mn  Mn7  1  0.038  0.731  0.032  1.0
  P  P8  1  0.921  0.100  0.149  1.0
  P  P9  1  0.827  0.592  0.655  1.0
  P  P10  1  0.421  0.331  0.658  1.0
  P  P11  1  0.331  0.421  0.158  1.0
  P  P12  1  0.592  0.827  0.155  1.0
  P  P13  1  0.100  0.921  0.649  1.0
  O  O14  1  0.983  0.121  0.680  1.0
  O  O15  1  0.711  0.476  0.687  1.0
  O  O16  1  0.935  0.300  0.058  1.0
  O  O17  1  0.618  0.209  0.693  1.0
  O  O18  1  0.819  0.608  0.805  1.0
  O  O19  1  0.763  0.111  0.299  1.0
  O  O20  1  0.901  0.028  0.038  1.0
  O  O21  1  0.713  0.790  0.558  1.0
  O  O22  1  0.260  0.329  0.806  1.0
  O  O23  1  0.428  0.226  0.558  1.0
  O  O24  1  0.537  0.407  0.050  1.0
  O  O25  1  0.790  0.713  0.058  1.0
  O  O26  1  0.608  0.819  0.305  1.0
  O  O27  1  0.329  0.260  0.306  1.0
  O  O28  1  0.514  0.032  0.048  1.0
  O  O29  1  0.300  0.935  0.558  1.0
  O  O30  1  0.226  0.428  0.058  1.0
  O  O31  1  0.407  0.537  0.550  1.0
  O  O32  1  0.476  0.711  0.187  1.0
  O  O33  1  0.111  0.763  0.799  1.0
  O  O34  1  0.028  0.901  0.538  1.0
  O  O35  1  0.121  0.983  0.180  1.0
  O  O36  1  0.209  0.618  0.193  1.0
  O  O37  1  0.032  0.514  0.548  1.0
[/CIF]
.
The material structure described by Mn4(PO4)3 crystallizes in the monoclinic Cc space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(7) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(2)O5 square pyramids, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(4)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(12), one O(3), and one O(9) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(4)O5 square pyramid. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid, and  an edgeedge with one Mn(3)O5 square pyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids,  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mn(4) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one P(2) atom. is represented by the CIF file [CIF]
data_Mn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   9.873
_cell_angle_alpha   64.409
_cell_angle_beta   64.409
_cell_angle_gamma   60.184
_symmetry_Int_Tables_number   1
_cell_volume   536.168
_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  0.711  0.208  0.868  1.0
  Mn  Mn1  1  0.731  0.038  0.532  1.0
  Mn  Mn2  1  0.536  0.694  0.540  1.0
  Mn  Mn3  1  0.194  0.233  0.535  1.0
  Mn  Mn4  1  0.694  0.536  0.040  1.0
  Mn  Mn5  1  0.233  0.194  0.035  1.0
  Mn  Mn6  1  0.208  0.711  0.368  1.0
  Mn  Mn7  1  0.038  0.731  0.032  1.0
  P  P8  1  0.921  0.100  0.149  1.0
  P  P9  1  0.827  0.592  0.655  1.0
  P  P10  1  0.421  0.331  0.658  1.0
  P  P11  1  0.331  0.421  0.158  1.0
  P  P12  1  0.592  0.827  0.155  1.0
  P  P13  1  0.100  0.921  0.649  1.0
  O  O14  1  0.983  0.121  0.680  1.0
  O  O15  1  0.711  0.476  0.687  1.0
  O  O16  1  0.935  0.300  0.058  1.0
  O  O17  1  0.618  0.209  0.693  1.0
  O  O18  1  0.819  0.608  0.805  1.0
  O  O19  1  0.763  0.111  0.299  1.0
  O  O20  1  0.901  0.028  0.038  1.0
  O  O21  1  0.713  0.790  0.558  1.0
  O  O22  1  0.260  0.329  0.806  1.0
  O  O23  1  0.428  0.226  0.558  1.0
  O  O24  1  0.537  0.407  0.050  1.0
  O  O25  1  0.790  0.713  0.058  1.0
  O  O26  1  0.608  0.819  0.305  1.0
  O  O27  1  0.329  0.260  0.306  1.0
  O  O28  1  0.514  0.032  0.048  1.0
  O  O29  1  0.300  0.935  0.558  1.0
  O  O30  1  0.226  0.428  0.058  1.0
  O  O31  1  0.407  0.537  0.550  1.0
  O  O32  1  0.476  0.711  0.187  1.0
  O  O33  1  0.111  0.763  0.799  1.0
  O  O34  1  0.028  0.901  0.538  1.0
  O  O35  1  0.121  0.983  0.180  1.0
  O  O36  1  0.209  0.618  0.193  1.0
  O  O37  1  0.032  0.514  0.548  1.0
[/CIF]
.