The material described by LiMnPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 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(1), one O(2), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight 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 P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.517
_cell_length_c   6.716
_cell_angle_alpha   102.725
_cell_angle_beta   90.076
_cell_angle_gamma   116.850
_symmetry_Int_Tables_number   1
_cell_volume   160.575
_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  0.064  0.003  0.498  1.0
  Li  Li1  1  0.033  0.000  0.005  1.0
  Mn  Mn2  1  0.355  0.714  0.271  1.0
  Mn  Mn3  1  0.640  0.287  0.726  1.0
  P  P4  1  0.314  0.647  0.768  1.0
  P  P5  1  0.671  0.356  0.228  1.0
  O  O6  1  0.753  0.673  0.320  1.0
  O  O7  1  0.303  0.832  0.622  1.0
  O  O8  1  0.214  0.732  0.978  1.0
  O  O9  1  0.639  0.684  0.788  1.0
  O  O10  1  0.958  0.316  0.210  1.0
  O  O11  1  0.485  0.270  0.018  1.0
  O  O12  1  0.475  0.173  0.374  1.0
  O  O13  1  0.079  0.332  0.674  1.0
[/CIF]
.
The material described by LiMnPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 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(1), one O(2), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight 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 P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the CIF file [CIF]
data_LiMnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.517
_cell_length_c   6.716
_cell_angle_alpha   102.725
_cell_angle_beta   90.076
_cell_angle_gamma   116.850
_symmetry_Int_Tables_number   1
_cell_volume   160.575
_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  0.064  0.003  0.498  1.0
  Li  Li1  1  0.033  0.000  0.005  1.0
  Mn  Mn2  1  0.355  0.714  0.271  1.0
  Mn  Mn3  1  0.640  0.287  0.726  1.0
  P  P4  1  0.314  0.647  0.768  1.0
  P  P5  1  0.671  0.356  0.228  1.0
  O  O6  1  0.753  0.673  0.320  1.0
  O  O7  1  0.303  0.832  0.622  1.0
  O  O8  1  0.214  0.732  0.978  1.0
  O  O9  1  0.639  0.684  0.788  1.0
  O  O10  1  0.958  0.316  0.210  1.0
  O  O11  1  0.485  0.270  0.018  1.0
  O  O12  1  0.475  0.173  0.374  1.0
  O  O13  1  0.079  0.332  0.674  1.0
[/CIF]
.