The structure described by Li3Mn2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. 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 Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn2P4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   5.267
_cell_length_c   12.603
_cell_angle_alpha   100.648
_cell_angle_beta   91.426
_cell_angle_gamma   117.838
_symmetry_Int_Tables_number   1
_cell_volume   294.044
_cell_formula_units_Z   1
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  0.759  0.181  0.009  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.241  0.819  0.991  1.0
  Mn  Mn3  1  0.416  0.836  0.238  1.0
  Mn  Mn4  1  0.584  0.164  0.762  1.0
  P  P5  1  0.945  0.031  0.377  1.0
  P  P6  1  0.188  0.295  0.143  1.0
  P  P7  1  0.812  0.705  0.857  1.0
  P  P8  1  0.055  0.969  0.623  1.0
  H  H9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.107  0.852  0.374  1.0
  O  O11  1  0.452  0.224  0.126  1.0
  O  O12  1  0.969  0.158  0.093  1.0
  O  O13  1  0.886  0.070  0.272  1.0
  O  O14  1  0.578  0.834  0.474  1.0
  O  O15  1  0.669  0.349  0.885  1.0
  O  O16  1  0.179  0.376  0.359  1.0
  O  O17  1  0.821  0.624  0.641  1.0
  O  O18  1  0.331  0.651  0.115  1.0
  O  O19  1  0.422  0.166  0.526  1.0
  O  O20  1  0.114  0.930  0.728  1.0
  O  O21  1  0.031  0.842  0.907  1.0
  O  O22  1  0.548  0.776  0.874  1.0
  O  O23  1  0.893  0.148  0.626  1.0
[/CIF]
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The structure described by Li3Mn2P4HO14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent O(1) and two equivalent O(7) atoms. Mn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. 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 Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Li(2) and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn2P4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   5.267
_cell_length_c   12.603
_cell_angle_alpha   100.648
_cell_angle_beta   91.426
_cell_angle_gamma   117.838
_symmetry_Int_Tables_number   1
_cell_volume   294.044
_cell_formula_units_Z   1
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  0.759  0.181  0.009  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.241  0.819  0.991  1.0
  Mn  Mn3  1  0.416  0.836  0.238  1.0
  Mn  Mn4  1  0.584  0.164  0.762  1.0
  P  P5  1  0.945  0.031  0.377  1.0
  P  P6  1  0.188  0.295  0.143  1.0
  P  P7  1  0.812  0.705  0.857  1.0
  P  P8  1  0.055  0.969  0.623  1.0
  H  H9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.107  0.852  0.374  1.0
  O  O11  1  0.452  0.224  0.126  1.0
  O  O12  1  0.969  0.158  0.093  1.0
  O  O13  1  0.886  0.070  0.272  1.0
  O  O14  1  0.578  0.834  0.474  1.0
  O  O15  1  0.669  0.349  0.885  1.0
  O  O16  1  0.179  0.376  0.359  1.0
  O  O17  1  0.821  0.624  0.641  1.0
  O  O18  1  0.331  0.651  0.115  1.0
  O  O19  1  0.422  0.166  0.526  1.0
  O  O20  1  0.114  0.930  0.728  1.0
  O  O21  1  0.031  0.842  0.907  1.0
  O  O22  1  0.548  0.776  0.874  1.0
  O  O23  1  0.893  0.148  0.626  1.0
[/CIF]
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