The structure described by Li2FeP2HO8 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one H(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(8) atom to form FeO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. H(1) is bonded in a single-bond geometry to one Li(2) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(1), one Fe(1), and one H(1) atom. is represented by the CIF card [CIF]
data_Li2FeP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.557
_cell_length_b   6.272
_cell_length_c   7.879
_cell_angle_alpha   55.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.885
_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  0.046  0.975  0.659  1.0
  Li  Li1  1  0.377  0.011  0.812  1.0
  Li  Li2  1  0.954  0.975  0.159  1.0
  Li  Li3  1  0.623  0.011  0.312  1.0
  Fe  Fe4  1  0.249  0.599  0.432  1.0
  Fe  Fe5  1  0.751  0.599  0.932  1.0
  P  P6  1  0.673  0.523  0.378  1.0
  P  P7  1  0.195  0.183  0.302  1.0
  P  P8  1  0.327  0.523  0.878  1.0
  P  P9  1  0.805  0.183  0.802  1.0
  H  H10  1  0.738  0.980  0.596  1.0
  H  H11  1  0.262  0.980  0.096  1.0
  O  O12  1  0.771  0.890  0.955  1.0
  O  O13  1  0.329  0.392  0.761  1.0
  O  O14  1  0.654  0.275  0.625  1.0
  O  O15  1  0.496  0.685  0.845  1.0
  O  O16  1  0.242  0.284  0.438  1.0
  O  O17  1  0.987  0.245  0.710  1.0
  O  O18  1  0.168  0.677  0.861  1.0
  O  O19  1  0.671  0.392  0.261  1.0
  O  O20  1  0.819  0.835  0.645  1.0
  O  O21  1  0.346  0.275  0.125  1.0
  O  O22  1  0.504  0.685  0.345  1.0
  O  O23  1  0.229  0.890  0.455  1.0
  O  O24  1  0.013  0.245  0.210  1.0
  O  O25  1  0.832  0.677  0.361  1.0
  O  O26  1  0.181  0.835  0.145  1.0
  O  O27  1  0.758  0.284  0.938  1.0
[/CIF]
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The structure described by Li2FeP2HO8 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one H(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(8) atom to form FeO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 square pyramids and  a cornercorner with one P(1)O4 tetrahedra. H(1) is bonded in a single-bond geometry to one Li(2) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(1), one Fe(1), and one H(1) atom. is represented by the CIF card [CIF]
data_Li2FeP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.557
_cell_length_b   6.272
_cell_length_c   7.879
_cell_angle_alpha   55.522
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   307.885
_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  0.046  0.975  0.659  1.0
  Li  Li1  1  0.377  0.011  0.812  1.0
  Li  Li2  1  0.954  0.975  0.159  1.0
  Li  Li3  1  0.623  0.011  0.312  1.0
  Fe  Fe4  1  0.249  0.599  0.432  1.0
  Fe  Fe5  1  0.751  0.599  0.932  1.0
  P  P6  1  0.673  0.523  0.378  1.0
  P  P7  1  0.195  0.183  0.302  1.0
  P  P8  1  0.327  0.523  0.878  1.0
  P  P9  1  0.805  0.183  0.802  1.0
  H  H10  1  0.738  0.980  0.596  1.0
  H  H11  1  0.262  0.980  0.096  1.0
  O  O12  1  0.771  0.890  0.955  1.0
  O  O13  1  0.329  0.392  0.761  1.0
  O  O14  1  0.654  0.275  0.625  1.0
  O  O15  1  0.496  0.685  0.845  1.0
  O  O16  1  0.242  0.284  0.438  1.0
  O  O17  1  0.987  0.245  0.710  1.0
  O  O18  1  0.168  0.677  0.861  1.0
  O  O19  1  0.671  0.392  0.261  1.0
  O  O20  1  0.819  0.835  0.645  1.0
  O  O21  1  0.346  0.275  0.125  1.0
  O  O22  1  0.504  0.685  0.345  1.0
  O  O23  1  0.229  0.890  0.455  1.0
  O  O24  1  0.013  0.245  0.210  1.0
  O  O25  1  0.832  0.677  0.361  1.0
  O  O26  1  0.181  0.835  0.145  1.0
  O  O27  1  0.758  0.284  0.938  1.0
[/CIF]
.