The compound described by LiMn(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. Mn(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.854
_cell_length_c   7.389
_cell_angle_alpha   84.619
_cell_angle_beta   82.163
_cell_angle_gamma   82.900
_symmetry_Int_Tables_number   1
_cell_volume   330.777
_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  0.460  0.839  0.822  1.0
  Li  Li1  1  0.540  0.161  0.178  1.0
  Mn  Mn2  1  0.959  0.780  0.870  1.0
  Mn  Mn3  1  0.041  0.220  0.130  1.0
  P  P4  1  0.792  0.846  0.453  1.0
  P  P5  1  0.147  0.701  0.222  1.0
  P  P6  1  0.605  0.615  0.210  1.0
  P  P7  1  0.395  0.385  0.790  1.0
  P  P8  1  0.853  0.299  0.778  1.0
  P  P9  1  0.208  0.154  0.547  1.0
  O  O10  1  0.244  0.971  0.671  1.0
  O  O11  1  0.746  0.850  0.659  1.0
  O  O12  1  0.141  0.880  0.084  1.0
  O  O13  1  0.650  0.766  0.051  1.0
  O  O14  1  0.031  0.760  0.419  1.0
  O  O15  1  0.680  0.671  0.396  1.0
  O  O16  1  0.365  0.642  0.283  1.0
  O  O17  1  0.333  0.600  0.813  1.0
  O  O18  1  0.942  0.470  0.835  1.0
  O  O19  1  0.058  0.530  0.165  1.0
  O  O20  1  0.667  0.400  0.187  1.0
  O  O21  1  0.635  0.358  0.717  1.0
  O  O22  1  0.320  0.329  0.604  1.0
  O  O23  1  0.969  0.240  0.581  1.0
  O  O24  1  0.350  0.234  0.949  1.0
  O  O25  1  0.859  0.120  0.916  1.0
  O  O26  1  0.254  0.150  0.341  1.0
  O  O27  1  0.756  0.029  0.329  1.0
[/CIF]
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The compound described by LiMn(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(8) atom. Mn(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(8), two equivalent O(3), and two equivalent O(9) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.854
_cell_length_c   7.389
_cell_angle_alpha   84.619
_cell_angle_beta   82.163
_cell_angle_gamma   82.900
_symmetry_Int_Tables_number   1
_cell_volume   330.777
_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  0.460  0.839  0.822  1.0
  Li  Li1  1  0.540  0.161  0.178  1.0
  Mn  Mn2  1  0.959  0.780  0.870  1.0
  Mn  Mn3  1  0.041  0.220  0.130  1.0
  P  P4  1  0.792  0.846  0.453  1.0
  P  P5  1  0.147  0.701  0.222  1.0
  P  P6  1  0.605  0.615  0.210  1.0
  P  P7  1  0.395  0.385  0.790  1.0
  P  P8  1  0.853  0.299  0.778  1.0
  P  P9  1  0.208  0.154  0.547  1.0
  O  O10  1  0.244  0.971  0.671  1.0
  O  O11  1  0.746  0.850  0.659  1.0
  O  O12  1  0.141  0.880  0.084  1.0
  O  O13  1  0.650  0.766  0.051  1.0
  O  O14  1  0.031  0.760  0.419  1.0
  O  O15  1  0.680  0.671  0.396  1.0
  O  O16  1  0.365  0.642  0.283  1.0
  O  O17  1  0.333  0.600  0.813  1.0
  O  O18  1  0.942  0.470  0.835  1.0
  O  O19  1  0.058  0.530  0.165  1.0
  O  O20  1  0.667  0.400  0.187  1.0
  O  O21  1  0.635  0.358  0.717  1.0
  O  O22  1  0.320  0.329  0.604  1.0
  O  O23  1  0.969  0.240  0.581  1.0
  O  O24  1  0.350  0.234  0.949  1.0
  O  O25  1  0.859  0.120  0.916  1.0
  O  O26  1  0.254  0.150  0.341  1.0
  O  O27  1  0.756  0.029  0.329  1.0
[/CIF]
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