The material structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(24), one O(25), and one O(28) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(22), one O(23), and one O(26) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(21), one O(23), one O(24), and one O(27) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(13), one O(18), one O(2), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(15), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(28) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(23), one O(28), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(27), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(19), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth P site, P(4) is bonded to one O(12), one O(18), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(2), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(3), one Mn(1), and one C(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), 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 distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(6), one Mn(3), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one Mn(4), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(6), and one C(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(5) and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted L-shaped geometry to one Li(6), one Mn(3), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted L-shaped geometry to one Li(4), one Mn(4), and one C(3) atom. is represented by the CIF file [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.199
_cell_length_b   8.258
_cell_length_c   8.346
_cell_angle_alpha   92.570
_cell_angle_beta   92.478
_cell_angle_gamma   103.952
_symmetry_Int_Tables_number   1
_cell_volume   546.943
_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  0.902  0.858  0.266  1.0
  Li  Li1  1  0.387  0.375  0.249  1.0
  Li  Li2  1  0.618  0.124  0.251  1.0
  Li  Li3  1  0.380  0.873  0.753  1.0
  Li  Li4  1  0.889  0.341  0.734  1.0
  Li  Li5  1  0.612  0.628  0.745  1.0
  Mn  Mn6  1  0.981  0.231  0.339  1.0
  Mn  Mn7  1  0.471  0.729  0.329  1.0
  Mn  Mn8  1  0.515  0.270  0.670  1.0
  Mn  Mn9  1  0.023  0.775  0.662  1.0
  P  P10  1  0.761  0.510  0.423  1.0
  P  P11  1  0.264  0.015  0.421  1.0
  P  P12  1  0.739  0.983  0.579  1.0
  P  P13  1  0.238  0.495  0.579  1.0
  C  C14  1  0.518  0.764  0.046  1.0
  C  C15  1  0.017  0.270  0.055  1.0
  C  C16  1  0.976  0.735  0.945  1.0
  C  C17  1  0.487  0.228  0.953  1.0
  O  O18  1  0.404  0.644  0.098  1.0
  O  O19  1  0.895  0.156  0.113  1.0
  O  O20  1  0.941  0.719  0.087  1.0
  O  O21  1  0.610  0.862  0.165  1.0
  O  O22  1  0.469  0.213  0.101  1.0
  O  O23  1  0.124  0.349  0.174  1.0
  O  O24  1  0.620  0.552  0.319  1.0
  O  O25  1  0.322  0.892  0.311  1.0
  O  O26  1  0.811  0.366  0.327  1.0
  O  O27  1  0.113  0.059  0.328  1.0
  O  O28  1  0.909  0.670  0.456  1.0
  O  O29  1  0.303  0.547  0.412  1.0
  O  O30  1  0.797  0.041  0.409  1.0
  O  O31  1  0.410  0.176  0.456  1.0
  O  O32  1  0.579  0.834  0.547  1.0
  O  O33  1  0.701  0.452  0.591  1.0
  O  O34  1  0.211  0.945  0.586  1.0
  O  O35  1  0.078  0.347  0.545  1.0
  O  O36  1  0.877  0.926  0.676  1.0
  O  O37  1  0.189  0.640  0.676  1.0
  O  O38  1  0.375  0.451  0.685  1.0
  O  O39  1  0.700  0.128  0.677  1.0
  O  O40  1  0.887  0.639  0.823  1.0
  O  O41  1  0.542  0.789  0.901  1.0
  O  O42  1  0.401  0.123  0.840  1.0
  O  O43  1  0.030  0.303  0.913  1.0
  O  O44  1  0.595  0.353  0.894  1.0
  O  O45  1  0.101  0.847  0.891  1.0
[/CIF]
.
The material structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(24), one O(25), and one O(28) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(22), one O(23), and one O(26) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(21), one O(23), one O(24), and one O(27) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(13), one O(18), one O(2), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(15), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(28) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(23), one O(28), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(27), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(19), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth P site, P(4) is bonded to one O(12), one O(18), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(2), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(3), one Mn(1), and one C(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), 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 distorted bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(3), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal pyramidal geometry to one Li(5), one Li(6), one Mn(3), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(3), and one P(3) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one Mn(4), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(6), and one C(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(5) and one C(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted L-shaped geometry to one Li(6), one Mn(3), and one C(4) atom. In the twenty-eighth O site, O(28) is bonded in a distorted L-shaped geometry to one Li(4), one Mn(4), and one C(3) atom. is represented by the CIF file [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.199
_cell_length_b   8.258
_cell_length_c   8.346
_cell_angle_alpha   92.570
_cell_angle_beta   92.478
_cell_angle_gamma   103.952
_symmetry_Int_Tables_number   1
_cell_volume   546.943
_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  0.902  0.858  0.266  1.0
  Li  Li1  1  0.387  0.375  0.249  1.0
  Li  Li2  1  0.618  0.124  0.251  1.0
  Li  Li3  1  0.380  0.873  0.753  1.0
  Li  Li4  1  0.889  0.341  0.734  1.0
  Li  Li5  1  0.612  0.628  0.745  1.0
  Mn  Mn6  1  0.981  0.231  0.339  1.0
  Mn  Mn7  1  0.471  0.729  0.329  1.0
  Mn  Mn8  1  0.515  0.270  0.670  1.0
  Mn  Mn9  1  0.023  0.775  0.662  1.0
  P  P10  1  0.761  0.510  0.423  1.0
  P  P11  1  0.264  0.015  0.421  1.0
  P  P12  1  0.739  0.983  0.579  1.0
  P  P13  1  0.238  0.495  0.579  1.0
  C  C14  1  0.518  0.764  0.046  1.0
  C  C15  1  0.017  0.270  0.055  1.0
  C  C16  1  0.976  0.735  0.945  1.0
  C  C17  1  0.487  0.228  0.953  1.0
  O  O18  1  0.404  0.644  0.098  1.0
  O  O19  1  0.895  0.156  0.113  1.0
  O  O20  1  0.941  0.719  0.087  1.0
  O  O21  1  0.610  0.862  0.165  1.0
  O  O22  1  0.469  0.213  0.101  1.0
  O  O23  1  0.124  0.349  0.174  1.0
  O  O24  1  0.620  0.552  0.319  1.0
  O  O25  1  0.322  0.892  0.311  1.0
  O  O26  1  0.811  0.366  0.327  1.0
  O  O27  1  0.113  0.059  0.328  1.0
  O  O28  1  0.909  0.670  0.456  1.0
  O  O29  1  0.303  0.547  0.412  1.0
  O  O30  1  0.797  0.041  0.409  1.0
  O  O31  1  0.410  0.176  0.456  1.0
  O  O32  1  0.579  0.834  0.547  1.0
  O  O33  1  0.701  0.452  0.591  1.0
  O  O34  1  0.211  0.945  0.586  1.0
  O  O35  1  0.078  0.347  0.545  1.0
  O  O36  1  0.877  0.926  0.676  1.0
  O  O37  1  0.189  0.640  0.676  1.0
  O  O38  1  0.375  0.451  0.685  1.0
  O  O39  1  0.700  0.128  0.677  1.0
  O  O40  1  0.887  0.639  0.823  1.0
  O  O41  1  0.542  0.789  0.901  1.0
  O  O42  1  0.401  0.123  0.840  1.0
  O  O43  1  0.030  0.303  0.913  1.0
  O  O44  1  0.595  0.353  0.894  1.0
  O  O45  1  0.101  0.847  0.891  1.0
[/CIF]
.