The compound described by LiMnP2O7 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. 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(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   8.150
_cell_length_c   8.772
_cell_angle_alpha   69.731
_cell_angle_beta   69.731
_cell_angle_gamma   35.566
_symmetry_Int_Tables_number   1
_cell_volume   315.727
_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
  Li  Li0  1  0.468  0.132  0.045  1.0
  Li  Li1  1  0.132  0.468  0.545  1.0
  Mn  Mn2  1  0.513  0.492  0.996  1.0
  Mn  Mn3  1  0.492  0.513  0.496  1.0
  P  P4  1  0.035  0.771  0.808  1.0
  P  P5  1  0.771  0.035  0.308  1.0
  P  P6  1  0.963  0.237  0.194  1.0
  P  P7  1  0.237  0.963  0.694  1.0
  O  O8  1  0.179  0.628  0.649  1.0
  O  O9  1  0.552  0.262  0.431  1.0
  O  O10  1  0.763  0.891  0.876  1.0
  O  O11  1  0.120  0.235  0.639  1.0
  O  O12  1  0.235  0.120  0.139  1.0
  O  O13  1  0.035  0.967  0.255  1.0
  O  O14  1  0.765  0.422  0.061  1.0
  O  O15  1  0.891  0.763  0.376  1.0
  O  O16  1  0.422  0.765  0.561  1.0
  O  O17  1  0.262  0.552  0.931  1.0
  O  O18  1  0.800  0.391  0.349  1.0
  O  O19  1  0.967  0.035  0.755  1.0
  O  O20  1  0.391  0.800  0.849  1.0
  O  O21  1  0.628  0.179  0.149  1.0
[/CIF]
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The compound described by LiMnP2O7 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. Mn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(6), and one O(7) atom. 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(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.150
_cell_length_b   8.150
_cell_length_c   8.772
_cell_angle_alpha   69.731
_cell_angle_beta   69.731
_cell_angle_gamma   35.566
_symmetry_Int_Tables_number   1
_cell_volume   315.727
_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
  Li  Li0  1  0.468  0.132  0.045  1.0
  Li  Li1  1  0.132  0.468  0.545  1.0
  Mn  Mn2  1  0.513  0.492  0.996  1.0
  Mn  Mn3  1  0.492  0.513  0.496  1.0
  P  P4  1  0.035  0.771  0.808  1.0
  P  P5  1  0.771  0.035  0.308  1.0
  P  P6  1  0.963  0.237  0.194  1.0
  P  P7  1  0.237  0.963  0.694  1.0
  O  O8  1  0.179  0.628  0.649  1.0
  O  O9  1  0.552  0.262  0.431  1.0
  O  O10  1  0.763  0.891  0.876  1.0
  O  O11  1  0.120  0.235  0.639  1.0
  O  O12  1  0.235  0.120  0.139  1.0
  O  O13  1  0.035  0.967  0.255  1.0
  O  O14  1  0.765  0.422  0.061  1.0
  O  O15  1  0.891  0.763  0.376  1.0
  O  O16  1  0.422  0.765  0.561  1.0
  O  O17  1  0.262  0.552  0.931  1.0
  O  O18  1  0.800  0.391  0.349  1.0
  O  O19  1  0.967  0.035  0.755  1.0
  O  O20  1  0.391  0.800  0.849  1.0
  O  O21  1  0.628  0.179  0.149  1.0
[/CIF]
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