The material described by LiMnP(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. Mn(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(7) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(5) and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Mn(1) and two equivalent H(3) atoms. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one H(2) atom. In the third O site, O(5) is bonded to one P(1), one H(3), one H(4), and one H(7) atom to form distorted corner-sharing OPH3 tetrahedra. In the fourth O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fifth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(6), and one H(7) atom. In the sixth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent H(5) atoms. In the seventh O site, O(2) is bonded to one P(1), one H(1), and two equivalent H(6) atoms to form distorted corner-sharing OPH3 trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.176
_cell_length_b   6.875
_cell_length_c   11.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.491
_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  0.499  0.000  0.936  1.0
  Li  Li1  1  0.501  0.500  0.436  1.0
  Mn  Mn2  1  0.384  0.000  0.644  1.0
  Mn  Mn3  1  0.616  0.500  0.144  1.0
  P  P4  1  0.007  0.000  0.267  1.0
  P  P5  1  0.993  0.500  0.767  1.0
  H  H6  1  0.741  0.000  0.472  1.0
  H  H7  1  0.838  0.000  0.609  1.0
  H  H8  1  0.988  0.119  0.764  1.0
  H  H9  1  0.216  0.220  0.452  1.0
  H  H10  1  0.829  0.154  0.072  1.0
  H  H11  1  0.627  0.184  0.306  1.0
  H  H12  1  0.375  0.245  0.292  1.0
  H  H13  1  0.625  0.255  0.792  1.0
  H  H14  1  0.373  0.316  0.806  1.0
  H  H15  1  0.171  0.346  0.572  1.0
  H  H16  1  0.784  0.280  0.952  1.0
  H  H17  1  0.012  0.381  0.264  1.0
  H  H18  1  0.162  0.500  0.109  1.0
  H  H19  1  0.259  0.500  0.972  1.0
  H  H20  1  0.012  0.619  0.264  1.0
  H  H21  1  0.784  0.720  0.952  1.0
  H  H22  1  0.171  0.654  0.572  1.0
  H  H23  1  0.373  0.684  0.806  1.0
  H  H24  1  0.625  0.745  0.792  1.0
  H  H25  1  0.375  0.755  0.292  1.0
  H  H26  1  0.627  0.816  0.306  1.0
  H  H27  1  0.829  0.846  0.072  1.0
  H  H28  1  0.216  0.780  0.452  1.0
  H  H29  1  0.988  0.881  0.764  1.0
  O  O30  1  0.993  0.000  0.128  1.0
  O  O31  1  0.772  0.000  0.323  1.0
  O  O32  1  0.046  0.000  0.721  1.0
  O  O33  1  0.702  0.000  0.560  1.0
  O  O34  1  0.125  0.185  0.314  1.0
  O  O35  1  0.473  0.199  0.797  1.0
  O  O36  1  0.287  0.262  0.531  1.0
  O  O37  1  0.713  0.238  0.031  1.0
  O  O38  1  0.527  0.301  0.297  1.0
  O  O39  1  0.875  0.315  0.814  1.0
  O  O40  1  0.007  0.500  0.628  1.0
  O  O41  1  0.228  0.500  0.823  1.0
  O  O42  1  0.298  0.500  0.060  1.0
  O  O43  1  0.954  0.500  0.221  1.0
  O  O44  1  0.875  0.685  0.814  1.0
  O  O45  1  0.527  0.699  0.297  1.0
  O  O46  1  0.713  0.762  0.031  1.0
  O  O47  1  0.287  0.738  0.531  1.0
  O  O48  1  0.473  0.801  0.797  1.0
  O  O49  1  0.125  0.815  0.314  1.0
[/CIF]
.
The material described by LiMnP(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. Mn(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(7) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(2) and one O(6) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(5) and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted water-like geometry to one Mn(1) and two equivalent H(3) atoms. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one H(2) atom. In the third O site, O(5) is bonded to one P(1), one H(3), one H(4), and one H(7) atom to form distorted corner-sharing OPH3 tetrahedra. In the fourth O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fifth O site, O(6) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(6), and one H(7) atom. In the sixth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent H(5) atoms. In the seventh O site, O(2) is bonded to one P(1), one H(1), and two equivalent H(6) atoms to form distorted corner-sharing OPH3 trigonal pyramids. is represented by the CIF file [CIF]
data_LiMnP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.176
_cell_length_b   6.875
_cell_length_c   11.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.491
_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  0.499  0.000  0.936  1.0
  Li  Li1  1  0.501  0.500  0.436  1.0
  Mn  Mn2  1  0.384  0.000  0.644  1.0
  Mn  Mn3  1  0.616  0.500  0.144  1.0
  P  P4  1  0.007  0.000  0.267  1.0
  P  P5  1  0.993  0.500  0.767  1.0
  H  H6  1  0.741  0.000  0.472  1.0
  H  H7  1  0.838  0.000  0.609  1.0
  H  H8  1  0.988  0.119  0.764  1.0
  H  H9  1  0.216  0.220  0.452  1.0
  H  H10  1  0.829  0.154  0.072  1.0
  H  H11  1  0.627  0.184  0.306  1.0
  H  H12  1  0.375  0.245  0.292  1.0
  H  H13  1  0.625  0.255  0.792  1.0
  H  H14  1  0.373  0.316  0.806  1.0
  H  H15  1  0.171  0.346  0.572  1.0
  H  H16  1  0.784  0.280  0.952  1.0
  H  H17  1  0.012  0.381  0.264  1.0
  H  H18  1  0.162  0.500  0.109  1.0
  H  H19  1  0.259  0.500  0.972  1.0
  H  H20  1  0.012  0.619  0.264  1.0
  H  H21  1  0.784  0.720  0.952  1.0
  H  H22  1  0.171  0.654  0.572  1.0
  H  H23  1  0.373  0.684  0.806  1.0
  H  H24  1  0.625  0.745  0.792  1.0
  H  H25  1  0.375  0.755  0.292  1.0
  H  H26  1  0.627  0.816  0.306  1.0
  H  H27  1  0.829  0.846  0.072  1.0
  H  H28  1  0.216  0.780  0.452  1.0
  H  H29  1  0.988  0.881  0.764  1.0
  O  O30  1  0.993  0.000  0.128  1.0
  O  O31  1  0.772  0.000  0.323  1.0
  O  O32  1  0.046  0.000  0.721  1.0
  O  O33  1  0.702  0.000  0.560  1.0
  O  O34  1  0.125  0.185  0.314  1.0
  O  O35  1  0.473  0.199  0.797  1.0
  O  O36  1  0.287  0.262  0.531  1.0
  O  O37  1  0.713  0.238  0.031  1.0
  O  O38  1  0.527  0.301  0.297  1.0
  O  O39  1  0.875  0.315  0.814  1.0
  O  O40  1  0.007  0.500  0.628  1.0
  O  O41  1  0.228  0.500  0.823  1.0
  O  O42  1  0.298  0.500  0.060  1.0
  O  O43  1  0.954  0.500  0.221  1.0
  O  O44  1  0.875  0.685  0.814  1.0
  O  O45  1  0.527  0.699  0.297  1.0
  O  O46  1  0.713  0.762  0.031  1.0
  O  O47  1  0.287  0.738  0.531  1.0
  O  O48  1  0.473  0.801  0.797  1.0
  O  O49  1  0.125  0.815  0.314  1.0
[/CIF]
.