The compound described by Li9Mn7O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Mn(2), one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Mn(3), one Mn(4), one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Mn(1), one Mn(4), one O(4), one O(5), one O(6), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), one O(2), one O(3), one O(6), one O(8), and two equivalent O(7) atoms. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent Li(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(4), one O(2), one O(6), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(4), one Mn(4), and two equivalent Mn(3) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   6.086
_cell_length_c   10.419
_cell_angle_alpha   103.553
_cell_angle_beta   95.699
_cell_angle_gamma   110.674
_symmetry_Int_Tables_number   1
_cell_volume   299.625
_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
  Li  Li0  1  0.374  0.807  0.120  1.0
  Li  Li1  1  0.122  0.938  0.377  1.0
  Li  Li2  1  0.878  0.062  0.623  1.0
  Li  Li3  1  0.626  0.193  0.880  1.0
  Li  Li4  1  0.374  0.322  0.122  1.0
  Li  Li5  1  0.125  0.438  0.372  1.0
  Li  Li6  1  0.875  0.562  0.628  1.0
  Li  Li7  1  0.626  0.678  0.878  1.0
  Li  Li8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.243  0.874  0.754  1.0
  Mn  Mn11  1  0.757  0.126  0.246  1.0
  Mn  Mn12  1  0.499  0.251  0.499  1.0
  Mn  Mn13  1  0.241  0.381  0.754  1.0
  Mn  Mn14  1  0.759  0.619  0.246  1.0
  Mn  Mn15  1  0.501  0.749  0.501  1.0
  O  O16  1  0.700  0.671  0.068  1.0
  O  O17  1  0.466  0.788  0.317  1.0
  O  O18  1  0.200  0.925  0.567  1.0
  O  O19  1  0.939  0.048  0.823  1.0
  O  O20  1  0.727  0.135  0.065  1.0
  O  O21  1  0.447  0.295  0.316  1.0
  O  O22  1  0.197  0.421  0.572  1.0
  O  O23  1  0.968  0.544  0.807  1.0
  O  O24  1  0.061  0.952  0.177  1.0
  O  O25  1  0.800  0.075  0.433  1.0
  O  O26  1  0.534  0.212  0.683  1.0
  O  O27  1  0.300  0.329  0.932  1.0
  O  O28  1  0.032  0.456  0.193  1.0
  O  O29  1  0.803  0.579  0.428  1.0
  O  O30  1  0.553  0.705  0.684  1.0
  O  O31  1  0.273  0.865  0.935  1.0
[/CIF]
.
The compound described by Li9Mn7O16 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Mn(2), one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to one Mn(3), one Mn(4), one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 8-coordinate geometry to one Mn(1), one Mn(4), one O(4), one O(5), one O(6), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(3), one O(2), one O(3), one O(6), one O(8), and two equivalent O(7) atoms. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent Li(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(4), one O(2), one O(6), two equivalent O(3), and two equivalent O(7) atoms. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(4), one Mn(4), and two equivalent Mn(3) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Mn7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   6.086
_cell_length_c   10.419
_cell_angle_alpha   103.553
_cell_angle_beta   95.699
_cell_angle_gamma   110.674
_symmetry_Int_Tables_number   1
_cell_volume   299.625
_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
  Li  Li0  1  0.374  0.807  0.120  1.0
  Li  Li1  1  0.122  0.938  0.377  1.0
  Li  Li2  1  0.878  0.062  0.623  1.0
  Li  Li3  1  0.626  0.193  0.880  1.0
  Li  Li4  1  0.374  0.322  0.122  1.0
  Li  Li5  1  0.125  0.438  0.372  1.0
  Li  Li6  1  0.875  0.562  0.628  1.0
  Li  Li7  1  0.626  0.678  0.878  1.0
  Li  Li8  1  0.000  0.500  0.000  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.243  0.874  0.754  1.0
  Mn  Mn11  1  0.757  0.126  0.246  1.0
  Mn  Mn12  1  0.499  0.251  0.499  1.0
  Mn  Mn13  1  0.241  0.381  0.754  1.0
  Mn  Mn14  1  0.759  0.619  0.246  1.0
  Mn  Mn15  1  0.501  0.749  0.501  1.0
  O  O16  1  0.700  0.671  0.068  1.0
  O  O17  1  0.466  0.788  0.317  1.0
  O  O18  1  0.200  0.925  0.567  1.0
  O  O19  1  0.939  0.048  0.823  1.0
  O  O20  1  0.727  0.135  0.065  1.0
  O  O21  1  0.447  0.295  0.316  1.0
  O  O22  1  0.197  0.421  0.572  1.0
  O  O23  1  0.968  0.544  0.807  1.0
  O  O24  1  0.061  0.952  0.177  1.0
  O  O25  1  0.800  0.075  0.433  1.0
  O  O26  1  0.534  0.212  0.683  1.0
  O  O27  1  0.300  0.329  0.932  1.0
  O  O28  1  0.032  0.456  0.193  1.0
  O  O29  1  0.803  0.579  0.428  1.0
  O  O30  1  0.553  0.705  0.684  1.0
  O  O31  1  0.273  0.865  0.935  1.0
[/CIF]
.