The structure described by LiMnPO4(OH) crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a distorted L-shaped geometry to one O(2), one O(3), one O(4), and one O(5) atom. H(1) is bonded in a distorted single-bond geometry to one Mn(1), one O(1), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Mn(1), one Mn(2), one H(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Mn(2), one P(1), one H(1), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.417
_cell_length_c   7.405
_cell_angle_alpha   110.438
_cell_angle_beta   104.206
_cell_angle_gamma   99.410
_symmetry_Int_Tables_number   1
_cell_volume   182.561
_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  0.252  0.604  0.825  1.0
  Li  Li1  1  0.748  0.396  0.175  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.316  0.629  0.237  1.0
  P  P5  1  0.684  0.371  0.763  1.0
  H  H6  1  0.641  0.938  0.325  1.0
  H  H7  1  0.359  0.062  0.675  1.0
  O  O8  1  0.159  0.949  0.738  1.0
  O  O9  1  0.271  0.786  0.386  1.0
  O  O10  1  0.697  0.668  0.655  1.0
  O  O11  1  0.629  0.738  0.077  1.0
  O  O12  1  0.112  0.642  0.128  1.0
  O  O13  1  0.888  0.358  0.872  1.0
  O  O14  1  0.371  0.262  0.923  1.0
  O  O15  1  0.303  0.332  0.345  1.0
  O  O16  1  0.729  0.214  0.614  1.0
  O  O17  1  0.841  0.051  0.262  1.0
[/CIF]
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The structure described by LiMnPO4(OH) crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a distorted L-shaped geometry to one O(2), one O(3), one O(4), and one O(5) atom. H(1) is bonded in a distorted single-bond geometry to one Mn(1), one O(1), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Mn(1), one Mn(2), one H(1), and one O(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Mn(2), one P(1), one H(1), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.417
_cell_length_c   7.405
_cell_angle_alpha   110.438
_cell_angle_beta   104.206
_cell_angle_gamma   99.410
_symmetry_Int_Tables_number   1
_cell_volume   182.561
_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  0.252  0.604  0.825  1.0
  Li  Li1  1  0.748  0.396  0.175  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.316  0.629  0.237  1.0
  P  P5  1  0.684  0.371  0.763  1.0
  H  H6  1  0.641  0.938  0.325  1.0
  H  H7  1  0.359  0.062  0.675  1.0
  O  O8  1  0.159  0.949  0.738  1.0
  O  O9  1  0.271  0.786  0.386  1.0
  O  O10  1  0.697  0.668  0.655  1.0
  O  O11  1  0.629  0.738  0.077  1.0
  O  O12  1  0.112  0.642  0.128  1.0
  O  O13  1  0.888  0.358  0.872  1.0
  O  O14  1  0.371  0.262  0.923  1.0
  O  O15  1  0.303  0.332  0.345  1.0
  O  O16  1  0.729  0.214  0.614  1.0
  O  O17  1  0.841  0.051  0.262  1.0
[/CIF]
.