The compound described by LiMnCO3F2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a trigonal pyramidal geometry to one O(1), one O(2), and two equivalent F(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one C(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.128
_cell_length_c   8.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.691
_cell_formula_units_Z   4
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  0.750  0.262  0.290  1.0
  Li  Li1  1  0.750  0.762  0.210  1.0
  Li  Li2  1  0.250  0.738  0.710  1.0
  Li  Li3  1  0.250  0.238  0.790  1.0
  Mn  Mn4  1  0.750  0.927  0.623  1.0
  Mn  Mn5  1  0.750  0.427  0.877  1.0
  Mn  Mn6  1  0.250  0.573  0.123  1.0
  Mn  Mn7  1  0.250  0.073  0.377  1.0
  C  C8  1  0.750  0.574  0.547  1.0
  C  C9  1  0.750  0.074  0.953  1.0
  C  C10  1  0.250  0.926  0.047  1.0
  C  C11  1  0.250  0.426  0.453  1.0
  O  O12  1  0.750  0.227  0.045  1.0
  O  O13  1  0.750  0.727  0.455  1.0
  O  O14  1  0.750  0.411  0.495  1.0
  O  O15  1  0.750  0.911  0.005  1.0
  O  O16  1  0.750  0.121  0.793  1.0
  O  O17  1  0.750  0.621  0.707  1.0
  O  O18  1  0.250  0.089  0.995  1.0
  O  O19  1  0.250  0.879  0.207  1.0
  O  O20  1  0.250  0.379  0.293  1.0
  O  O21  1  0.250  0.589  0.505  1.0
  O  O22  1  0.250  0.273  0.545  1.0
  O  O23  1  0.250  0.773  0.955  1.0
  F  F24  1  0.957  0.576  0.141  1.0
  F  F25  1  0.957  0.076  0.359  1.0
  F  F26  1  0.543  0.576  0.141  1.0
  F  F27  1  0.543  0.076  0.359  1.0
  F  F28  1  0.457  0.424  0.859  1.0
  F  F29  1  0.457  0.924  0.641  1.0
  F  F30  1  0.043  0.924  0.641  1.0
  F  F31  1  0.043  0.424  0.859  1.0
[/CIF]
.
The compound described by LiMnCO3F2 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a trigonal pyramidal geometry to one O(1), one O(2), and two equivalent F(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one C(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_LiMnCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.128
_cell_length_c   8.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.691
_cell_formula_units_Z   4
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  0.750  0.262  0.290  1.0
  Li  Li1  1  0.750  0.762  0.210  1.0
  Li  Li2  1  0.250  0.738  0.710  1.0
  Li  Li3  1  0.250  0.238  0.790  1.0
  Mn  Mn4  1  0.750  0.927  0.623  1.0
  Mn  Mn5  1  0.750  0.427  0.877  1.0
  Mn  Mn6  1  0.250  0.573  0.123  1.0
  Mn  Mn7  1  0.250  0.073  0.377  1.0
  C  C8  1  0.750  0.574  0.547  1.0
  C  C9  1  0.750  0.074  0.953  1.0
  C  C10  1  0.250  0.926  0.047  1.0
  C  C11  1  0.250  0.426  0.453  1.0
  O  O12  1  0.750  0.227  0.045  1.0
  O  O13  1  0.750  0.727  0.455  1.0
  O  O14  1  0.750  0.411  0.495  1.0
  O  O15  1  0.750  0.911  0.005  1.0
  O  O16  1  0.750  0.121  0.793  1.0
  O  O17  1  0.750  0.621  0.707  1.0
  O  O18  1  0.250  0.089  0.995  1.0
  O  O19  1  0.250  0.879  0.207  1.0
  O  O20  1  0.250  0.379  0.293  1.0
  O  O21  1  0.250  0.589  0.505  1.0
  O  O22  1  0.250  0.273  0.545  1.0
  O  O23  1  0.250  0.773  0.955  1.0
  F  F24  1  0.957  0.576  0.141  1.0
  F  F25  1  0.957  0.076  0.359  1.0
  F  F26  1  0.543  0.576  0.141  1.0
  F  F27  1  0.543  0.076  0.359  1.0
  F  F28  1  0.457  0.424  0.859  1.0
  F  F29  1  0.457  0.924  0.641  1.0
  F  F30  1  0.043  0.924  0.641  1.0
  F  F31  1  0.043  0.424  0.859  1.0
[/CIF]
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