The material described by Mn4(PO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent Mn(2)O5 square pyramids and corners with six equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Mn(2)O5 square 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(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) 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(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.838
_cell_length_b   9.838
_cell_length_c   9.838
_cell_angle_alpha   51.128
_cell_angle_beta   51.128
_cell_angle_gamma   51.128
_symmetry_Int_Tables_number   1
_cell_volume   532.522
_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  0.711  0.711  1.0
  Mn  Mn1  1  0.211  0.211  0.211  1.0
  Mn  Mn2  1  0.193  0.537  0.733  1.0
  Mn  Mn3  1  0.233  0.037  0.693  1.0
  Mn  Mn4  1  0.693  0.233  0.037  1.0
  Mn  Mn5  1  0.037  0.693  0.233  1.0
  Mn  Mn6  1  0.733  0.193  0.537  1.0
  Mn  Mn7  1  0.537  0.733  0.193  1.0
  P  P8  1  0.830  0.420  0.096  1.0
  P  P9  1  0.330  0.596  0.920  1.0
  P  P10  1  0.596  0.920  0.330  1.0
  P  P11  1  0.096  0.830  0.420  1.0
  P  P12  1  0.920  0.330  0.596  1.0
  P  P13  1  0.420  0.096  0.830  1.0
  O  O14  1  0.019  0.034  0.402  1.0
  O  O15  1  0.934  0.212  0.794  1.0
  O  O16  1  0.262  0.109  0.826  1.0
  O  O17  1  0.109  0.826  0.262  1.0
  O  O18  1  0.402  0.019  0.034  1.0
  O  O19  1  0.762  0.326  0.609  1.0
  O  O20  1  0.534  0.519  0.902  1.0
  O  O21  1  0.712  0.434  0.294  1.0
  O  O22  1  0.121  0.215  0.479  1.0
  O  O23  1  0.794  0.934  0.212  1.0
  O  O24  1  0.326  0.609  0.762  1.0
  O  O25  1  0.034  0.402  0.019  1.0
  O  O26  1  0.479  0.121  0.215  1.0
  O  O27  1  0.215  0.479  0.121  1.0
  O  O28  1  0.621  0.979  0.715  1.0
  O  O29  1  0.979  0.715  0.621  1.0
  O  O30  1  0.715  0.621  0.979  1.0
  O  O31  1  0.212  0.794  0.934  1.0
  O  O32  1  0.826  0.262  0.109  1.0
  O  O33  1  0.519  0.902  0.534  1.0
  O  O34  1  0.434  0.294  0.712  1.0
  O  O35  1  0.902  0.534  0.519  1.0
  O  O36  1  0.294  0.712  0.434  1.0
  O  O37  1  0.609  0.762  0.326  1.0
[/CIF]
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The material described by Mn4(PO4)3 crystallizes in the trigonal R3c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent Mn(2)O5 square pyramids and corners with six equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with two equivalent Mn(2)O5 square 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(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent Mn(2)O5 square pyramids, and  an edgeedge with one Mn(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) 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(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.838
_cell_length_b   9.838
_cell_length_c   9.838
_cell_angle_alpha   51.128
_cell_angle_beta   51.128
_cell_angle_gamma   51.128
_symmetry_Int_Tables_number   1
_cell_volume   532.522
_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  0.711  0.711  1.0
  Mn  Mn1  1  0.211  0.211  0.211  1.0
  Mn  Mn2  1  0.193  0.537  0.733  1.0
  Mn  Mn3  1  0.233  0.037  0.693  1.0
  Mn  Mn4  1  0.693  0.233  0.037  1.0
  Mn  Mn5  1  0.037  0.693  0.233  1.0
  Mn  Mn6  1  0.733  0.193  0.537  1.0
  Mn  Mn7  1  0.537  0.733  0.193  1.0
  P  P8  1  0.830  0.420  0.096  1.0
  P  P9  1  0.330  0.596  0.920  1.0
  P  P10  1  0.596  0.920  0.330  1.0
  P  P11  1  0.096  0.830  0.420  1.0
  P  P12  1  0.920  0.330  0.596  1.0
  P  P13  1  0.420  0.096  0.830  1.0
  O  O14  1  0.019  0.034  0.402  1.0
  O  O15  1  0.934  0.212  0.794  1.0
  O  O16  1  0.262  0.109  0.826  1.0
  O  O17  1  0.109  0.826  0.262  1.0
  O  O18  1  0.402  0.019  0.034  1.0
  O  O19  1  0.762  0.326  0.609  1.0
  O  O20  1  0.534  0.519  0.902  1.0
  O  O21  1  0.712  0.434  0.294  1.0
  O  O22  1  0.121  0.215  0.479  1.0
  O  O23  1  0.794  0.934  0.212  1.0
  O  O24  1  0.326  0.609  0.762  1.0
  O  O25  1  0.034  0.402  0.019  1.0
  O  O26  1  0.479  0.121  0.215  1.0
  O  O27  1  0.215  0.479  0.121  1.0
  O  O28  1  0.621  0.979  0.715  1.0
  O  O29  1  0.979  0.715  0.621  1.0
  O  O30  1  0.715  0.621  0.979  1.0
  O  O31  1  0.212  0.794  0.934  1.0
  O  O32  1  0.826  0.262  0.109  1.0
  O  O33  1  0.519  0.902  0.534  1.0
  O  O34  1  0.434  0.294  0.712  1.0
  O  O35  1  0.902  0.534  0.519  1.0
  O  O36  1  0.294  0.712  0.434  1.0
  O  O37  1  0.609  0.762  0.326  1.0
[/CIF]
.