The compound described by Li3MnCO3PO4 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 rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O4 trigonal pyramids. 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 Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   6.720
_cell_length_c   8.781
_cell_angle_alpha   100.366
_cell_angle_beta   91.583
_cell_angle_gamma   89.833
_symmetry_Int_Tables_number   1
_cell_volume   301.403
_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  0.433  0.491  0.214  1.0
  Li  Li1  1  0.324  0.883  0.229  1.0
  Li  Li2  1  0.038  0.238  0.254  1.0
  Li  Li3  1  0.962  0.762  0.746  1.0
  Li  Li4  1  0.676  0.117  0.771  1.0
  Li  Li5  1  0.567  0.509  0.786  1.0
  Mn  Mn6  1  0.849  0.742  0.368  1.0
  Mn  Mn7  1  0.151  0.258  0.632  1.0
  P  P8  1  0.652  0.243  0.426  1.0
  P  P9  1  0.348  0.757  0.574  1.0
  C  C10  1  0.803  0.727  0.057  1.0
  C  C11  1  0.197  0.273  0.943  1.0
  O  O12  1  0.240  0.276  0.089  1.0
  O  O13  1  0.029  0.746  0.121  1.0
  O  O14  1  0.608  0.710  0.147  1.0
  O  O15  1  0.739  0.418  0.342  1.0
  O  O16  1  0.811  0.057  0.350  1.0
  O  O17  1  0.357  0.203  0.403  1.0
  O  O18  1  0.272  0.706  0.398  1.0
  O  O19  1  0.728  0.294  0.602  1.0
  O  O20  1  0.643  0.797  0.597  1.0
  O  O21  1  0.189  0.943  0.650  1.0
  O  O22  1  0.261  0.582  0.658  1.0
  O  O23  1  0.392  0.290  0.853  1.0
  O  O24  1  0.971  0.254  0.879  1.0
  O  O25  1  0.760  0.724  0.911  1.0
[/CIF]
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The compound described by Li3MnCO3PO4 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 rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(2)O4 trigonal pyramids. 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 Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.195
_cell_length_b   6.720
_cell_length_c   8.781
_cell_angle_alpha   100.366
_cell_angle_beta   91.583
_cell_angle_gamma   89.833
_symmetry_Int_Tables_number   1
_cell_volume   301.403
_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  0.433  0.491  0.214  1.0
  Li  Li1  1  0.324  0.883  0.229  1.0
  Li  Li2  1  0.038  0.238  0.254  1.0
  Li  Li3  1  0.962  0.762  0.746  1.0
  Li  Li4  1  0.676  0.117  0.771  1.0
  Li  Li5  1  0.567  0.509  0.786  1.0
  Mn  Mn6  1  0.849  0.742  0.368  1.0
  Mn  Mn7  1  0.151  0.258  0.632  1.0
  P  P8  1  0.652  0.243  0.426  1.0
  P  P9  1  0.348  0.757  0.574  1.0
  C  C10  1  0.803  0.727  0.057  1.0
  C  C11  1  0.197  0.273  0.943  1.0
  O  O12  1  0.240  0.276  0.089  1.0
  O  O13  1  0.029  0.746  0.121  1.0
  O  O14  1  0.608  0.710  0.147  1.0
  O  O15  1  0.739  0.418  0.342  1.0
  O  O16  1  0.811  0.057  0.350  1.0
  O  O17  1  0.357  0.203  0.403  1.0
  O  O18  1  0.272  0.706  0.398  1.0
  O  O19  1  0.728  0.294  0.602  1.0
  O  O20  1  0.643  0.797  0.597  1.0
  O  O21  1  0.189  0.943  0.650  1.0
  O  O22  1  0.261  0.582  0.658  1.0
  O  O23  1  0.392  0.290  0.853  1.0
  O  O24  1  0.971  0.254  0.879  1.0
  O  O25  1  0.760  0.724  0.911  1.0
[/CIF]
.