The compound described by MgMn2(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(3), one O(5), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(4), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-46°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_MgMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.957
_cell_length_c   8.908
_cell_angle_alpha   112.700
_cell_angle_beta   94.948
_cell_angle_gamma   106.272
_symmetry_Int_Tables_number   1
_cell_volume   271.024
_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
  Mg  Mg0  1  0.361  0.235  0.753  1.0
  Mn  Mn1  1  0.103  0.609  0.349  1.0
  Mn  Mn2  1  0.904  0.402  0.626  1.0
  P  P3  1  0.234  0.133  0.376  1.0
  P  P4  1  0.587  0.688  0.873  1.0
  P  P5  1  0.430  0.316  0.134  1.0
  P  P6  1  0.758  0.844  0.612  1.0
  O  O7  1  0.074  0.897  0.336  1.0
  O  O8  1  0.063  0.296  0.426  1.0
  O  O9  1  0.281  0.521  0.775  1.0
  O  O10  1  0.221  0.444  0.160  1.0
  O  O11  1  0.398  0.180  0.950  1.0
  O  O12  1  0.481  0.768  0.492  1.0
  O  O13  1  0.687  0.851  0.785  1.0
  O  O14  1  0.340  0.142  0.217  1.0
  O  O15  1  0.493  0.222  0.526  1.0
  O  O16  1  0.626  0.818  0.053  1.0
  O  O17  1  0.759  0.521  0.826  1.0
  O  O18  1  0.726  0.467  0.229  1.0
  O  O19  1  0.933  0.686  0.562  1.0
  O  O20  1  0.939  0.085  0.659  1.0
[/CIF]
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The compound described by MgMn2(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(3), one O(5), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(4), and one O(6) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-46°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) 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(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_MgMn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.957
_cell_length_c   8.908
_cell_angle_alpha   112.700
_cell_angle_beta   94.948
_cell_angle_gamma   106.272
_symmetry_Int_Tables_number   1
_cell_volume   271.024
_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
  Mg  Mg0  1  0.361  0.235  0.753  1.0
  Mn  Mn1  1  0.103  0.609  0.349  1.0
  Mn  Mn2  1  0.904  0.402  0.626  1.0
  P  P3  1  0.234  0.133  0.376  1.0
  P  P4  1  0.587  0.688  0.873  1.0
  P  P5  1  0.430  0.316  0.134  1.0
  P  P6  1  0.758  0.844  0.612  1.0
  O  O7  1  0.074  0.897  0.336  1.0
  O  O8  1  0.063  0.296  0.426  1.0
  O  O9  1  0.281  0.521  0.775  1.0
  O  O10  1  0.221  0.444  0.160  1.0
  O  O11  1  0.398  0.180  0.950  1.0
  O  O12  1  0.481  0.768  0.492  1.0
  O  O13  1  0.687  0.851  0.785  1.0
  O  O14  1  0.340  0.142  0.217  1.0
  O  O15  1  0.493  0.222  0.526  1.0
  O  O16  1  0.626  0.818  0.053  1.0
  O  O17  1  0.759  0.521  0.826  1.0
  O  O18  1  0.726  0.467  0.229  1.0
  O  O19  1  0.933  0.686  0.562  1.0
  O  O20  1  0.939  0.085  0.659  1.0
[/CIF]
.