The structure described by LiMnP2HO7 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   7.518
_cell_length_c   6.520
_cell_angle_alpha   79.901
_cell_angle_beta   68.645
_cell_angle_gamma   95.998
_symmetry_Int_Tables_number   1
_cell_volume   279.859
_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  0.399  0.104  0.170  1.0
  Li  Li1  1  0.601  0.896  0.830  1.0
  Mn  Mn2  1  0.271  0.300  0.708  1.0
  Mn  Mn3  1  0.729  0.700  0.292  1.0
  P  P4  1  0.247  0.683  0.327  1.0
  P  P5  1  0.753  0.317  0.673  1.0
  P  P6  1  0.881  0.139  0.281  1.0
  P  P7  1  0.119  0.861  0.719  1.0
  H  H8  1  0.204  0.697  0.976  1.0
  H  H9  1  0.796  0.303  0.024  1.0
  O  O10  1  0.080  0.633  0.215  1.0
  O  O11  1  0.920  0.367  0.785  1.0
  O  O12  1  0.117  0.172  0.090  1.0
  O  O13  1  0.882  0.827  0.910  1.0
  O  O14  1  0.441  0.845  0.180  1.0
  O  O15  1  0.559  0.155  0.820  1.0
  O  O16  1  0.359  0.525  0.399  1.0
  O  O17  1  0.641  0.475  0.601  1.0
  O  O18  1  0.705  0.232  0.195  1.0
  O  O19  1  0.295  0.768  0.805  1.0
  O  O20  1  0.083  0.744  0.546  1.0
  O  O21  1  0.917  0.256  0.454  1.0
  O  O22  1  0.228  0.057  0.587  1.0
  O  O23  1  0.772  0.943  0.413  1.0
[/CIF]
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The structure described by LiMnP2HO7 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.334
_cell_length_b   7.518
_cell_length_c   6.520
_cell_angle_alpha   79.901
_cell_angle_beta   68.645
_cell_angle_gamma   95.998
_symmetry_Int_Tables_number   1
_cell_volume   279.859
_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  0.399  0.104  0.170  1.0
  Li  Li1  1  0.601  0.896  0.830  1.0
  Mn  Mn2  1  0.271  0.300  0.708  1.0
  Mn  Mn3  1  0.729  0.700  0.292  1.0
  P  P4  1  0.247  0.683  0.327  1.0
  P  P5  1  0.753  0.317  0.673  1.0
  P  P6  1  0.881  0.139  0.281  1.0
  P  P7  1  0.119  0.861  0.719  1.0
  H  H8  1  0.204  0.697  0.976  1.0
  H  H9  1  0.796  0.303  0.024  1.0
  O  O10  1  0.080  0.633  0.215  1.0
  O  O11  1  0.920  0.367  0.785  1.0
  O  O12  1  0.117  0.172  0.090  1.0
  O  O13  1  0.882  0.827  0.910  1.0
  O  O14  1  0.441  0.845  0.180  1.0
  O  O15  1  0.559  0.155  0.820  1.0
  O  O16  1  0.359  0.525  0.399  1.0
  O  O17  1  0.641  0.475  0.601  1.0
  O  O18  1  0.705  0.232  0.195  1.0
  O  O19  1  0.295  0.768  0.805  1.0
  O  O20  1  0.083  0.744  0.546  1.0
  O  O21  1  0.917  0.256  0.454  1.0
  O  O22  1  0.228  0.057  0.587  1.0
  O  O23  1  0.772  0.943  0.413  1.0
[/CIF]
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