The material structure described by LiMnP3HO10 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(11) and one O(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(10) and one O(12) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the fourth P site, P(4) is bonded to one O(1), one O(14), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the fifth P site, P(5) is bonded to one O(15), one O(17), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. In the sixth P site, P(6) is bonded to one O(16), one O(18), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(18) and one O(19) atom. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(5) and one H(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(6) and one H(1) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(4) and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   6.332
_cell_length_c   6.528
_cell_angle_alpha   108.889
_cell_angle_beta   107.946
_cell_angle_gamma   83.520
_symmetry_Int_Tables_number   1
_cell_volume   232.454
_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
  H  H0  1  0.754  0.231  0.010  1.0
  Li  Li1  1  0.118  0.879  0.505  1.0
  Mn  Mn2  1  0.322  0.678  0.000  1.0
  O  O3  1  0.326  0.355  0.939  1.0
  O  O4  1  0.644  0.678  0.059  1.0
  O  O5  1  0.009  0.700  0.996  1.0
  O  O6  1  0.303  0.993  0.004  1.0
  O  O7  1  0.253  0.616  0.631  1.0
  O  O8  1  0.382  0.746  0.370  1.0
  O  O9  1  0.408  0.327  0.341  1.0
  O  O10  1  0.676  0.600  0.659  1.0
  O  O11  1  0.826  0.312  0.871  1.0
  O  O12  1  0.691  0.172  0.120  1.0
  P  P13  1  0.424  0.579  0.501  1.0
  P  P14  1  0.435  0.206  0.088  1.0
  P  P15  1  0.796  0.560  0.907  1.0
[/CIF]
.
The material structure described by LiMnP3HO10 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one O(11) and one O(9) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(10) and one O(12) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the fourth P site, P(4) is bonded to one O(1), one O(14), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the fifth P site, P(5) is bonded to one O(15), one O(17), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-49°. In the sixth P site, P(6) is bonded to one O(16), one O(18), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(18) and one O(19) atom. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(1) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one P(2) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(5) and one H(2) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(6) and one H(1) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(4) and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.249
_cell_length_b   6.332
_cell_length_c   6.528
_cell_angle_alpha   108.889
_cell_angle_beta   107.946
_cell_angle_gamma   83.520
_symmetry_Int_Tables_number   1
_cell_volume   232.454
_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
  H  H0  1  0.754  0.231  0.010  1.0
  Li  Li1  1  0.118  0.879  0.505  1.0
  Mn  Mn2  1  0.322  0.678  0.000  1.0
  O  O3  1  0.326  0.355  0.939  1.0
  O  O4  1  0.644  0.678  0.059  1.0
  O  O5  1  0.009  0.700  0.996  1.0
  O  O6  1  0.303  0.993  0.004  1.0
  O  O7  1  0.253  0.616  0.631  1.0
  O  O8  1  0.382  0.746  0.370  1.0
  O  O9  1  0.408  0.327  0.341  1.0
  O  O10  1  0.676  0.600  0.659  1.0
  O  O11  1  0.826  0.312  0.871  1.0
  O  O12  1  0.691  0.172  0.120  1.0
  P  P13  1  0.424  0.579  0.501  1.0
  P  P14  1  0.435  0.206  0.088  1.0
  P  P15  1  0.796  0.560  0.907  1.0
[/CIF]
.