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 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate 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 in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), 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 3-coordinate geometry to 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 card [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   6.802
_cell_length_c   8.793
_cell_angle_alpha   95.284
_cell_angle_beta   92.389
_cell_angle_gamma   95.294
_symmetry_Int_Tables_number   1
_cell_volume   300.660
_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  0.135  0.590  0.266  1.0
  Li  Li1  1  0.238  0.951  0.301  1.0
  Li  Li2  1  0.461  0.285  0.248  1.0
  Li  Li3  1  0.539  0.715  0.752  1.0
  Li  Li4  1  0.762  0.049  0.699  1.0
  Li  Li5  1  0.865  0.410  0.734  1.0
  Mn  Mn6  1  0.682  0.767  0.131  1.0
  Mn  Mn7  1  0.318  0.233  0.869  1.0
  P  P8  1  0.846  0.260  0.081  1.0
  P  P9  1  0.154  0.740  0.919  1.0
  C  C10  1  0.718  0.779  0.440  1.0
  C  C11  1  0.282  0.221  0.560  1.0
  O  O12  1  0.261  0.215  0.414  1.0
  O  O13  1  0.489  0.754  0.364  1.0
  O  O14  1  0.927  0.796  0.358  1.0
  O  O15  1  0.762  0.453  0.169  1.0
  O  O16  1  0.703  0.087  0.157  1.0
  O  O17  1  0.154  0.264  0.092  1.0
  O  O18  1  0.247  0.752  0.092  1.0
  O  O19  1  0.753  0.248  0.908  1.0
  O  O20  1  0.846  0.736  0.908  1.0
  O  O21  1  0.238  0.547  0.831  1.0
  O  O22  1  0.297  0.913  0.843  1.0
  O  O23  1  0.073  0.204  0.642  1.0
  O  O24  1  0.511  0.246  0.636  1.0
  O  O25  1  0.739  0.785  0.586  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 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate 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 in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), 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 3-coordinate geometry to 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 card [CIF]
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   6.802
_cell_length_c   8.793
_cell_angle_alpha   95.284
_cell_angle_beta   92.389
_cell_angle_gamma   95.294
_symmetry_Int_Tables_number   1
_cell_volume   300.660
_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  0.135  0.590  0.266  1.0
  Li  Li1  1  0.238  0.951  0.301  1.0
  Li  Li2  1  0.461  0.285  0.248  1.0
  Li  Li3  1  0.539  0.715  0.752  1.0
  Li  Li4  1  0.762  0.049  0.699  1.0
  Li  Li5  1  0.865  0.410  0.734  1.0
  Mn  Mn6  1  0.682  0.767  0.131  1.0
  Mn  Mn7  1  0.318  0.233  0.869  1.0
  P  P8  1  0.846  0.260  0.081  1.0
  P  P9  1  0.154  0.740  0.919  1.0
  C  C10  1  0.718  0.779  0.440  1.0
  C  C11  1  0.282  0.221  0.560  1.0
  O  O12  1  0.261  0.215  0.414  1.0
  O  O13  1  0.489  0.754  0.364  1.0
  O  O14  1  0.927  0.796  0.358  1.0
  O  O15  1  0.762  0.453  0.169  1.0
  O  O16  1  0.703  0.087  0.157  1.0
  O  O17  1  0.154  0.264  0.092  1.0
  O  O18  1  0.247  0.752  0.092  1.0
  O  O19  1  0.753  0.248  0.908  1.0
  O  O20  1  0.846  0.736  0.908  1.0
  O  O21  1  0.238  0.547  0.831  1.0
  O  O22  1  0.297  0.913  0.843  1.0
  O  O23  1  0.073  0.204  0.642  1.0
  O  O24  1  0.511  0.246  0.636  1.0
  O  O25  1  0.739  0.785  0.586  1.0
[/CIF]
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