The compound described by LiMn2P2HO8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent 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(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.168
_cell_length_b   8.898
_cell_length_c   8.756
_cell_angle_alpha   85.162
_cell_angle_beta   78.236
_cell_angle_gamma   105.418
_symmetry_Int_Tables_number   1
_cell_volume   375.890
_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  0.614  0.297  0.195  1.0
  Li  Li1  1  0.386  0.703  0.805  1.0
  Mn  Mn2  1  0.773  0.395  0.783  1.0
  Mn  Mn3  1  0.227  0.605  0.216  1.0
  Mn  Mn4  1  0.329  0.122  0.596  1.0
  Mn  Mn5  1  0.671  0.878  0.404  1.0
  P  P6  1  0.865  0.750  0.063  1.0
  P  P7  1  0.135  0.250  0.937  1.0
  P  P8  1  0.100  0.744  0.572  1.0
  P  P9  1  0.900  0.256  0.428  1.0
  H  H10  1  0.900  0.939  0.877  1.0
  H  H11  1  0.100  0.061  0.123  1.0
  O  O12  1  0.105  0.126  0.822  1.0
  O  O13  1  0.895  0.874  0.178  1.0
  O  O14  1  0.374  0.400  0.867  1.0
  O  O15  1  0.626  0.600  0.133  1.0
  O  O16  1  0.818  0.768  0.571  1.0
  O  O17  1  0.182  0.232  0.429  1.0
  O  O18  1  0.140  0.709  0.015  1.0
  O  O19  1  0.860  0.291  0.985  1.0
  O  O20  1  0.738  0.263  0.599  1.0
  O  O21  1  0.262  0.737  0.401  1.0
  O  O22  1  0.789  0.825  0.912  1.0
  O  O23  1  0.211  0.175  0.088  1.0
  O  O24  1  0.697  0.117  0.374  1.0
  O  O25  1  0.303  0.883  0.626  1.0
  O  O26  1  0.922  0.404  0.314  1.0
  O  O27  1  0.078  0.596  0.686  1.0
[/CIF]
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The compound described by LiMn2P2HO8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(5), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent 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(1), and one P(2) atom. is represented by the CIF card [CIF]
data_LiMn2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.168
_cell_length_b   8.898
_cell_length_c   8.756
_cell_angle_alpha   85.162
_cell_angle_beta   78.236
_cell_angle_gamma   105.418
_symmetry_Int_Tables_number   1
_cell_volume   375.890
_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  0.614  0.297  0.195  1.0
  Li  Li1  1  0.386  0.703  0.805  1.0
  Mn  Mn2  1  0.773  0.395  0.783  1.0
  Mn  Mn3  1  0.227  0.605  0.216  1.0
  Mn  Mn4  1  0.329  0.122  0.596  1.0
  Mn  Mn5  1  0.671  0.878  0.404  1.0
  P  P6  1  0.865  0.750  0.063  1.0
  P  P7  1  0.135  0.250  0.937  1.0
  P  P8  1  0.100  0.744  0.572  1.0
  P  P9  1  0.900  0.256  0.428  1.0
  H  H10  1  0.900  0.939  0.877  1.0
  H  H11  1  0.100  0.061  0.123  1.0
  O  O12  1  0.105  0.126  0.822  1.0
  O  O13  1  0.895  0.874  0.178  1.0
  O  O14  1  0.374  0.400  0.867  1.0
  O  O15  1  0.626  0.600  0.133  1.0
  O  O16  1  0.818  0.768  0.571  1.0
  O  O17  1  0.182  0.232  0.429  1.0
  O  O18  1  0.140  0.709  0.015  1.0
  O  O19  1  0.860  0.291  0.985  1.0
  O  O20  1  0.738  0.263  0.599  1.0
  O  O21  1  0.262  0.737  0.401  1.0
  O  O22  1  0.789  0.825  0.912  1.0
  O  O23  1  0.211  0.175  0.088  1.0
  O  O24  1  0.697  0.117  0.374  1.0
  O  O25  1  0.303  0.883  0.626  1.0
  O  O26  1  0.922  0.404  0.314  1.0
  O  O27  1  0.078  0.596  0.686  1.0
[/CIF]
.