The crystal structure described by Li3MnCO3PO4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(13), one O(5), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(14), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(5), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(6), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), and one C(1) atom to form corner-sharing OLi3C trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), and one C(2) atom to form corner-sharing OLi3C trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(4), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), one Mn(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   6.529
_cell_length_c   8.585
_cell_angle_alpha   95.526
_cell_angle_beta   95.289
_cell_angle_gamma   93.770
_symmetry_Int_Tables_number   1
_cell_volume   293.216
_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
  C  C0  1  0.424  0.190  0.043  1.0
  C  C1  1  0.831  0.707  0.952  1.0
  Li  Li2  1  0.212  0.752  0.121  1.0
  Li  Li3  1  0.042  0.142  0.875  1.0
  Li  Li4  1  0.413  0.411  0.745  1.0
  Li  Li5  1  0.842  0.485  0.250  1.0
  Li  Li6  1  0.509  0.928  0.751  1.0
  Li  Li7  1  0.746  0.968  0.244  1.0
  Mn  Mn8  1  0.311  0.208  0.353  1.0
  Mn  Mn9  1  0.944  0.688  0.642  1.0
  O  O10  1  0.055  0.738  0.902  1.0
  O  O11  1  0.200  0.159  0.093  1.0
  O  O12  1  0.235  0.525  0.314  1.0
  O  O13  1  0.020  0.371  0.680  1.0
  O  O14  1  0.317  0.757  0.574  1.0
  O  O15  1  0.937  0.140  0.421  1.0
  O  O16  1  0.404  0.889  0.310  1.0
  O  O17  1  0.850  0.008  0.685  1.0
  O  O18  1  0.436  0.180  0.891  1.0
  O  O19  1  0.818  0.716  0.103  1.0
  O  O20  1  0.563  0.256  0.566  1.0
  O  O21  1  0.692  0.640  0.429  1.0
  O  O22  1  0.632  0.670  0.851  1.0
  O  O23  1  0.623  0.226  0.144  1.0
  P  P24  1  0.413  0.702  0.411  1.0
  P  P25  1  0.842  0.195  0.584  1.0
[/CIF]
.
The crystal structure described by Li3MnCO3PO4 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(13), one O(5), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(14), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra. In the second P site, P(2) is bonded to one O(11), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(5), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(6), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Li(5), and one C(1) atom to form corner-sharing OLi3C trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Li(6), and one C(2) atom to form corner-sharing OLi3C trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(3), one Mn(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(4), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), one Mn(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), one Mn(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   6.529
_cell_length_c   8.585
_cell_angle_alpha   95.526
_cell_angle_beta   95.289
_cell_angle_gamma   93.770
_symmetry_Int_Tables_number   1
_cell_volume   293.216
_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
  C  C0  1  0.424  0.190  0.043  1.0
  C  C1  1  0.831  0.707  0.952  1.0
  Li  Li2  1  0.212  0.752  0.121  1.0
  Li  Li3  1  0.042  0.142  0.875  1.0
  Li  Li4  1  0.413  0.411  0.745  1.0
  Li  Li5  1  0.842  0.485  0.250  1.0
  Li  Li6  1  0.509  0.928  0.751  1.0
  Li  Li7  1  0.746  0.968  0.244  1.0
  Mn  Mn8  1  0.311  0.208  0.353  1.0
  Mn  Mn9  1  0.944  0.688  0.642  1.0
  O  O10  1  0.055  0.738  0.902  1.0
  O  O11  1  0.200  0.159  0.093  1.0
  O  O12  1  0.235  0.525  0.314  1.0
  O  O13  1  0.020  0.371  0.680  1.0
  O  O14  1  0.317  0.757  0.574  1.0
  O  O15  1  0.937  0.140  0.421  1.0
  O  O16  1  0.404  0.889  0.310  1.0
  O  O17  1  0.850  0.008  0.685  1.0
  O  O18  1  0.436  0.180  0.891  1.0
  O  O19  1  0.818  0.716  0.103  1.0
  O  O20  1  0.563  0.256  0.566  1.0
  O  O21  1  0.692  0.640  0.429  1.0
  O  O22  1  0.632  0.670  0.851  1.0
  O  O23  1  0.623  0.226  0.144  1.0
  P  P24  1  0.413  0.702  0.411  1.0
  P  P25  1  0.842  0.195  0.584  1.0
[/CIF]
.