The material described by Mn9O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(4) and four equivalent Mn(2) atoms to form OMn6 octahedra that share corners with four equivalent O(3)Mn5 square pyramids, edges with two equivalent O(1)Mn6 octahedra, and edges with six equivalent O(3)Mn5 square pyramids. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the third O site, O(3) is bonded to two equivalent Mn(4) and three equivalent Mn(2) atoms to form OMn5 square pyramids that share corners with two equivalent O(1)Mn6 octahedra, edges with three equivalent O(1)Mn6 octahedra, and edges with four equivalent O(3)Mn5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded to one Mn(1), two equivalent Mn(3), and two equivalent Mn(5) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Mn(1) and three equivalent Mn(3) atoms to form a mixture of distorted edge and corner-sharing OMn5 square pyramids. is represented by the CIF file [CIF]
data_Mn9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.355
_cell_length_c   17.101
_cell_angle_alpha   82.656
_cell_angle_beta   82.656
_cell_angle_gamma   33.386
_symmetry_Int_Tables_number   1
_cell_volume   267.466
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.353  0.353  0.042  1.0
  Mn  Mn2  1  0.647  0.647  0.958  1.0
  Mn  Mn3  1  0.250  0.250  0.417  1.0
  Mn  Mn4  1  0.750  0.750  0.583  1.0
  Mn  Mn5  1  0.063  0.063  0.124  1.0
  Mn  Mn6  1  0.937  0.937  0.876  1.0
  Mn  Mn7  1  0.009  0.009  0.324  1.0
  Mn  Mn8  1  0.991  0.991  0.676  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.110  0.110  0.222  1.0
  O  O11  1  0.890  0.890  0.778  1.0
  O  O12  1  0.705  0.705  0.067  1.0
  O  O13  1  0.295  0.295  0.933  1.0
  O  O14  1  0.444  0.444  0.134  1.0
  O  O15  1  0.556  0.556  0.866  1.0
  O  O16  1  0.385  0.385  0.329  1.0
  O  O17  1  0.615  0.615  0.671  1.0
  O  O18  1  0.615  0.615  0.389  1.0
  O  O19  1  0.385  0.385  0.611  1.0
  O  O20  1  0.863  0.863  0.472  1.0
  O  O21  1  0.137  0.137  0.528  1.0
[/CIF]
.
The material described by Mn9O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(4) and four equivalent Mn(2) atoms to form OMn6 octahedra that share corners with four equivalent O(3)Mn5 square pyramids, edges with two equivalent O(1)Mn6 octahedra, and edges with six equivalent O(3)Mn5 square pyramids. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(4) and one Mn(5) atom. In the third O site, O(3) is bonded to two equivalent Mn(4) and three equivalent Mn(2) atoms to form OMn5 square pyramids that share corners with two equivalent O(1)Mn6 octahedra, edges with three equivalent O(1)Mn6 octahedra, and edges with four equivalent O(3)Mn5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded to one Mn(1), two equivalent Mn(3), and two equivalent Mn(5) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Mn(1) and three equivalent Mn(3) atoms to form a mixture of distorted edge and corner-sharing OMn5 square pyramids. is represented by the CIF file [CIF]
data_Mn9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.355
_cell_length_b   5.355
_cell_length_c   17.101
_cell_angle_alpha   82.656
_cell_angle_beta   82.656
_cell_angle_gamma   33.386
_symmetry_Int_Tables_number   1
_cell_volume   267.466
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.353  0.353  0.042  1.0
  Mn  Mn2  1  0.647  0.647  0.958  1.0
  Mn  Mn3  1  0.250  0.250  0.417  1.0
  Mn  Mn4  1  0.750  0.750  0.583  1.0
  Mn  Mn5  1  0.063  0.063  0.124  1.0
  Mn  Mn6  1  0.937  0.937  0.876  1.0
  Mn  Mn7  1  0.009  0.009  0.324  1.0
  Mn  Mn8  1  0.991  0.991  0.676  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.110  0.110  0.222  1.0
  O  O11  1  0.890  0.890  0.778  1.0
  O  O12  1  0.705  0.705  0.067  1.0
  O  O13  1  0.295  0.295  0.933  1.0
  O  O14  1  0.444  0.444  0.134  1.0
  O  O15  1  0.556  0.556  0.866  1.0
  O  O16  1  0.385  0.385  0.329  1.0
  O  O17  1  0.615  0.615  0.671  1.0
  O  O18  1  0.615  0.615  0.389  1.0
  O  O19  1  0.385  0.385  0.611  1.0
  O  O20  1  0.863  0.863  0.472  1.0
  O  O21  1  0.137  0.137  0.528  1.0
[/CIF]
.