The compound described by Mn3(P2O7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(10), one O(11), one O(17), and one O(20) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(22), one O(28), one O(3), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(2), one O(23), one O(25), one O(3), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to one O(12), one O(18), one O(19), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(21), one O(27), one O(4), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(24), one O(26), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(24), one O(27), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(14), one O(23), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(15), one O(22), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(21), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(1), one O(15), one O(19), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(16), one O(2), one O(20), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the seventh P site, P(7) is bonded to one O(13), one O(17), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the eighth P site, P(8) is bonded to one O(14), one O(18), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(5) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(5) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(6) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one Mn(5) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.721
_cell_length_c   7.740
_cell_angle_alpha   81.439
_cell_angle_beta   73.065
_cell_angle_gamma   76.523
_symmetry_Int_Tables_number   1
_cell_volume   295.462
_cell_formula_units_Z   1
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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.752  0.534  0.663  1.0
  Mn  Mn2  1  0.248  0.466  0.337  1.0
  O  O3  1  0.914  0.394  0.422  1.0
  O  O4  1  0.087  0.606  0.577  1.0
  O  O5  1  0.538  0.304  0.417  1.0
  O  O6  1  0.461  0.696  0.583  1.0
  O  O7  1  0.244  0.148  0.884  1.0
  O  O8  1  0.756  0.852  0.116  1.0
  O  O9  1  0.214  0.531  0.871  1.0
  O  O10  1  0.786  0.469  0.129  1.0
  O  O11  1  0.066  0.889  0.770  1.0
  O  O12  1  0.934  0.111  0.230  1.0
  O  O13  1  0.666  0.696  0.872  1.0
  O  O14  1  0.333  0.305  0.128  1.0
  O  O15  1  0.386  0.711  0.188  1.0
  O  O16  1  0.614  0.289  0.812  1.0
  P  P17  1  0.362  0.307  0.926  1.0
  P  P18  1  0.638  0.693  0.074  1.0
  P  P19  1  0.784  0.310  0.308  1.0
  P  P20  1  0.216  0.690  0.692  1.0
[/CIF]
.
The compound described by Mn3(P2O7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(10), one O(11), one O(17), and one O(20) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(22), one O(28), one O(3), and one O(8) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(2), one O(23), one O(25), one O(3), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a square co-planar geometry to one O(12), one O(18), one O(19), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(21), one O(27), one O(4), and one O(7) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(24), one O(26), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(24), one O(27), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(14), one O(23), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(15), one O(22), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(21), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(1), one O(15), one O(19), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(16), one O(2), one O(20), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the seventh P site, P(7) is bonded to one O(13), one O(17), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the eighth P site, P(8) is bonded to one O(14), one O(18), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(5) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(1) and one P(7) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(8) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mn(5) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(6) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one Mn(5) and one P(1) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.721
_cell_length_c   7.740
_cell_angle_alpha   81.439
_cell_angle_beta   73.065
_cell_angle_gamma   76.523
_symmetry_Int_Tables_number   1
_cell_volume   295.462
_cell_formula_units_Z   1
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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.752  0.534  0.663  1.0
  Mn  Mn2  1  0.248  0.466  0.337  1.0
  O  O3  1  0.914  0.394  0.422  1.0
  O  O4  1  0.087  0.606  0.577  1.0
  O  O5  1  0.538  0.304  0.417  1.0
  O  O6  1  0.461  0.696  0.583  1.0
  O  O7  1  0.244  0.148  0.884  1.0
  O  O8  1  0.756  0.852  0.116  1.0
  O  O9  1  0.214  0.531  0.871  1.0
  O  O10  1  0.786  0.469  0.129  1.0
  O  O11  1  0.066  0.889  0.770  1.0
  O  O12  1  0.934  0.111  0.230  1.0
  O  O13  1  0.666  0.696  0.872  1.0
  O  O14  1  0.333  0.305  0.128  1.0
  O  O15  1  0.386  0.711  0.188  1.0
  O  O16  1  0.614  0.289  0.812  1.0
  P  P17  1  0.362  0.307  0.926  1.0
  P  P18  1  0.638  0.693  0.074  1.0
  P  P19  1  0.784  0.310  0.308  1.0
  P  P20  1  0.216  0.690  0.692  1.0
[/CIF]
.