The crystal structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-76°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(8), 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(3), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), 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 corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-51°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) 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 Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(2), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnP trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), and one C(2) atom to form a mixture of distorted edge and corner-sharing OLi2MnC trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Li(3), one Mn(2), and one C(2) atom. is represented by the CIF card [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   6.476
_cell_length_c   8.315
_cell_angle_alpha   90.927
_cell_angle_beta   94.128
_cell_angle_gamma   90.202
_symmetry_Int_Tables_number   1
_cell_volume   271.889
_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
  Li  Li0  1  0.760  0.538  0.265  1.0
  Li  Li1  1  0.247  0.486  0.747  1.0
  Li  Li2  1  0.244  0.018  0.748  1.0
  Mn  Mn3  1  0.202  0.245  0.330  1.0
  Mn  Mn4  1  0.791  0.750  0.664  1.0
  P  P5  1  0.277  0.747  0.420  1.0
  P  P6  1  0.729  0.253  0.578  1.0
  C  C7  1  0.283  0.257  0.047  1.0
  C  C8  1  0.710  0.744  0.949  1.0
  O  O9  1  0.046  0.245  0.098  1.0
  O  O10  1  0.665  0.723  0.091  1.0
  O  O11  1  0.468  0.266  0.165  1.0
  O  O12  1  0.205  0.939  0.324  1.0
  O  O13  1  0.168  0.561  0.317  1.0
  O  O14  1  0.845  0.266  0.411  1.0
  O  O15  1  0.583  0.721  0.457  1.0
  O  O16  1  0.419  0.254  0.550  1.0
  O  O17  1  0.157  0.750  0.589  1.0
  O  O18  1  0.827  0.062  0.672  1.0
  O  O19  1  0.827  0.438  0.687  1.0
  O  O20  1  0.519  0.753  0.828  1.0
  O  O21  1  0.329  0.256  0.900  1.0
  O  O22  1  0.946  0.756  0.891  1.0
[/CIF]
.
The crystal structure described by Li3Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-76°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(8), 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(3), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), 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 corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-51°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) 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 Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Mn(2), and one P(1) atom to form a mixture of distorted edge and corner-sharing OLi2MnP trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), and one C(2) atom to form a mixture of distorted edge and corner-sharing OLi2MnC trigonal pyramids. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Li(3), one Mn(2), and one C(2) atom. is represented by the CIF card [CIF]
data_Li3Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   6.476
_cell_length_c   8.315
_cell_angle_alpha   90.927
_cell_angle_beta   94.128
_cell_angle_gamma   90.202
_symmetry_Int_Tables_number   1
_cell_volume   271.889
_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
  Li  Li0  1  0.760  0.538  0.265  1.0
  Li  Li1  1  0.247  0.486  0.747  1.0
  Li  Li2  1  0.244  0.018  0.748  1.0
  Mn  Mn3  1  0.202  0.245  0.330  1.0
  Mn  Mn4  1  0.791  0.750  0.664  1.0
  P  P5  1  0.277  0.747  0.420  1.0
  P  P6  1  0.729  0.253  0.578  1.0
  C  C7  1  0.283  0.257  0.047  1.0
  C  C8  1  0.710  0.744  0.949  1.0
  O  O9  1  0.046  0.245  0.098  1.0
  O  O10  1  0.665  0.723  0.091  1.0
  O  O11  1  0.468  0.266  0.165  1.0
  O  O12  1  0.205  0.939  0.324  1.0
  O  O13  1  0.168  0.561  0.317  1.0
  O  O14  1  0.845  0.266  0.411  1.0
  O  O15  1  0.583  0.721  0.457  1.0
  O  O16  1  0.419  0.254  0.550  1.0
  O  O17  1  0.157  0.750  0.589  1.0
  O  O18  1  0.827  0.062  0.672  1.0
  O  O19  1  0.827  0.438  0.687  1.0
  O  O20  1  0.519  0.753  0.828  1.0
  O  O21  1  0.329  0.256  0.900  1.0
  O  O22  1  0.946  0.756  0.891  1.0
[/CIF]
.