The material structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), 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(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(13), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(2), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(3) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.407
_cell_length_b   8.202
_cell_length_c   8.272
_cell_angle_alpha   75.864
_cell_angle_beta   73.828
_cell_angle_gamma   107.608
_symmetry_Int_Tables_number   1
_cell_volume   545.341
_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  0.752  0.993  0.497  1.0
  Li  Li1  1  0.746  0.764  0.256  1.0
  Li  Li2  1  0.730  0.474  0.977  1.0
  Li  Li3  1  0.270  0.526  0.023  1.0
  Li  Li4  1  0.254  0.236  0.744  1.0
  Li  Li5  1  0.248  0.007  0.503  1.0
  Mn  Mn6  1  0.667  0.312  0.441  1.0
  Mn  Mn7  1  0.667  0.820  0.933  1.0
  Mn  Mn8  1  0.333  0.180  0.067  1.0
  Mn  Mn9  1  0.333  0.688  0.559  1.0
  P  P10  1  0.580  0.057  0.210  1.0
  P  P11  1  0.577  0.546  0.695  1.0
  P  P12  1  0.420  0.943  0.790  1.0
  P  P13  1  0.423  0.454  0.305  1.0
  C  C14  1  0.950  0.492  0.250  1.0
  C  C15  1  0.952  0.992  0.751  1.0
  C  C16  1  0.048  0.008  0.249  1.0
  C  C17  1  0.050  0.508  0.750  1.0
  O  O18  1  0.893  0.858  0.908  1.0
  O  O19  1  0.897  0.351  0.400  1.0
  O  O20  1  0.899  0.917  0.338  1.0
  O  O21  1  0.827  0.530  0.226  1.0
  O  O22  1  0.909  0.422  0.856  1.0
  O  O23  1  0.839  0.020  0.700  1.0
  O  O24  1  0.672  0.960  0.118  1.0
  O  O25  1  0.675  0.464  0.581  1.0
  O  O26  1  0.678  0.632  0.791  1.0
  O  O27  1  0.690  0.162  0.293  1.0
  O  O28  1  0.590  0.600  0.166  1.0
  O  O29  1  0.546  0.695  0.564  1.0
  O  O30  1  0.544  0.198  0.081  1.0
  O  O31  1  0.586  0.080  0.641  1.0
  O  O32  1  0.414  0.920  0.359  1.0
  O  O33  1  0.456  0.802  0.919  1.0
  O  O34  1  0.454  0.305  0.436  1.0
  O  O35  1  0.410  0.400  0.834  1.0
  O  O36  1  0.310  0.838  0.707  1.0
  O  O37  1  0.325  0.536  0.419  1.0
  O  O38  1  0.322  0.368  0.209  1.0
  O  O39  1  0.328  0.040  0.882  1.0
  O  O40  1  0.161  0.980  0.300  1.0
  O  O41  1  0.091  0.578  0.144  1.0
  O  O42  1  0.173  0.470  0.774  1.0
  O  O43  1  0.101  0.083  0.662  1.0
  O  O44  1  0.107  0.142  0.092  1.0
  O  O45  1  0.103  0.649  0.600  1.0
[/CIF]
.
The material structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), 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(10), one O(12), one O(14), one O(2), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(13), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(13), one O(14), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Li(2), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(3) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.407
_cell_length_b   8.202
_cell_length_c   8.272
_cell_angle_alpha   75.864
_cell_angle_beta   73.828
_cell_angle_gamma   107.608
_symmetry_Int_Tables_number   1
_cell_volume   545.341
_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  0.752  0.993  0.497  1.0
  Li  Li1  1  0.746  0.764  0.256  1.0
  Li  Li2  1  0.730  0.474  0.977  1.0
  Li  Li3  1  0.270  0.526  0.023  1.0
  Li  Li4  1  0.254  0.236  0.744  1.0
  Li  Li5  1  0.248  0.007  0.503  1.0
  Mn  Mn6  1  0.667  0.312  0.441  1.0
  Mn  Mn7  1  0.667  0.820  0.933  1.0
  Mn  Mn8  1  0.333  0.180  0.067  1.0
  Mn  Mn9  1  0.333  0.688  0.559  1.0
  P  P10  1  0.580  0.057  0.210  1.0
  P  P11  1  0.577  0.546  0.695  1.0
  P  P12  1  0.420  0.943  0.790  1.0
  P  P13  1  0.423  0.454  0.305  1.0
  C  C14  1  0.950  0.492  0.250  1.0
  C  C15  1  0.952  0.992  0.751  1.0
  C  C16  1  0.048  0.008  0.249  1.0
  C  C17  1  0.050  0.508  0.750  1.0
  O  O18  1  0.893  0.858  0.908  1.0
  O  O19  1  0.897  0.351  0.400  1.0
  O  O20  1  0.899  0.917  0.338  1.0
  O  O21  1  0.827  0.530  0.226  1.0
  O  O22  1  0.909  0.422  0.856  1.0
  O  O23  1  0.839  0.020  0.700  1.0
  O  O24  1  0.672  0.960  0.118  1.0
  O  O25  1  0.675  0.464  0.581  1.0
  O  O26  1  0.678  0.632  0.791  1.0
  O  O27  1  0.690  0.162  0.293  1.0
  O  O28  1  0.590  0.600  0.166  1.0
  O  O29  1  0.546  0.695  0.564  1.0
  O  O30  1  0.544  0.198  0.081  1.0
  O  O31  1  0.586  0.080  0.641  1.0
  O  O32  1  0.414  0.920  0.359  1.0
  O  O33  1  0.456  0.802  0.919  1.0
  O  O34  1  0.454  0.305  0.436  1.0
  O  O35  1  0.410  0.400  0.834  1.0
  O  O36  1  0.310  0.838  0.707  1.0
  O  O37  1  0.325  0.536  0.419  1.0
  O  O38  1  0.322  0.368  0.209  1.0
  O  O39  1  0.328  0.040  0.882  1.0
  O  O40  1  0.161  0.980  0.300  1.0
  O  O41  1  0.091  0.578  0.144  1.0
  O  O42  1  0.173  0.470  0.774  1.0
  O  O43  1  0.101  0.083  0.662  1.0
  O  O44  1  0.107  0.142  0.092  1.0
  O  O45  1  0.103  0.649  0.600  1.0
[/CIF]
.