The material structure described by Y2Mn3O9 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(7), one O(9), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Mn site, Mn(3) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted square co-planar geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(8) is bonded in a distorted square co-planar geometry to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms. In the third O site, O(9) is bonded in a distorted square co-planar geometry to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the fourth O site, O(1) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Mn(3) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Y(2), and one Mn(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(2), and one Mn(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Mn(1) atom. In the eighth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Mn(2) atom. In the ninth O site, O(6) is bonded to one Y(2), two equivalent Y(1), and one Mn(3) atom to form distorted corner-sharing OY3Mn tetrahedra. is represented by the CIF card [CIF]
data_Y2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   6.979
_cell_length_c   12.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.798
_symmetry_Int_Tables_number   1
_cell_volume   332.755
_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
  Y  Y0  1  0.027  0.973  0.518  1.0
  Y  Y1  1  0.300  0.700  0.480  1.0
  Y  Y2  1  0.973  0.027  0.018  1.0
  Y  Y3  1  0.700  0.300  0.980  1.0
  Mn  Mn4  1  0.140  0.860  0.238  1.0
  Mn  Mn5  1  0.804  0.196  0.248  1.0
  Mn  Mn6  1  0.469  0.531  0.266  1.0
  Mn  Mn7  1  0.531  0.469  0.766  1.0
  Mn  Mn8  1  0.196  0.804  0.748  1.0
  Mn  Mn9  1  0.860  0.140  0.738  1.0
  O  O10  1  0.529  0.471  0.616  1.0
  O  O11  1  0.177  0.823  0.600  1.0
  O  O12  1  0.866  0.134  0.587  1.0
  O  O13  1  0.134  0.866  0.087  1.0
  O  O14  1  0.823  0.177  0.100  1.0
  O  O15  1  0.471  0.529  0.116  1.0
  O  O16  1  0.151  0.849  0.389  1.0
  O  O17  1  0.797  0.203  0.394  1.0
  O  O18  1  0.467  0.533  0.417  1.0
  O  O19  1  0.533  0.467  0.917  1.0
  O  O20  1  0.203  0.797  0.894  1.0
  O  O21  1  0.849  0.151  0.889  1.0
  O  O22  1  0.023  0.977  0.758  1.0
  O  O23  1  0.692  0.308  0.756  1.0
  O  O24  1  0.347  0.653  0.734  1.0
  O  O25  1  0.977  0.023  0.258  1.0
  O  O26  1  0.653  0.347  0.234  1.0
  O  O27  1  0.308  0.692  0.256  1.0
[/CIF]
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The material structure described by Y2Mn3O9 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(7), one O(9), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the third Mn site, Mn(3) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a distorted square co-planar geometry to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(8) is bonded in a distorted square co-planar geometry to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms. In the third O site, O(9) is bonded in a distorted square co-planar geometry to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the fourth O site, O(1) is bonded in a trigonal planar geometry to two equivalent Y(1) and one Mn(3) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Y(2), and one Mn(2) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(2), and one Mn(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Mn(1) atom. In the eighth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Mn(2) atom. In the ninth O site, O(6) is bonded to one Y(2), two equivalent Y(1), and one Mn(3) atom to form distorted corner-sharing OY3Mn tetrahedra. is represented by the CIF card [CIF]
data_Y2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   6.979
_cell_length_c   12.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.798
_symmetry_Int_Tables_number   1
_cell_volume   332.755
_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
  Y  Y0  1  0.027  0.973  0.518  1.0
  Y  Y1  1  0.300  0.700  0.480  1.0
  Y  Y2  1  0.973  0.027  0.018  1.0
  Y  Y3  1  0.700  0.300  0.980  1.0
  Mn  Mn4  1  0.140  0.860  0.238  1.0
  Mn  Mn5  1  0.804  0.196  0.248  1.0
  Mn  Mn6  1  0.469  0.531  0.266  1.0
  Mn  Mn7  1  0.531  0.469  0.766  1.0
  Mn  Mn8  1  0.196  0.804  0.748  1.0
  Mn  Mn9  1  0.860  0.140  0.738  1.0
  O  O10  1  0.529  0.471  0.616  1.0
  O  O11  1  0.177  0.823  0.600  1.0
  O  O12  1  0.866  0.134  0.587  1.0
  O  O13  1  0.134  0.866  0.087  1.0
  O  O14  1  0.823  0.177  0.100  1.0
  O  O15  1  0.471  0.529  0.116  1.0
  O  O16  1  0.151  0.849  0.389  1.0
  O  O17  1  0.797  0.203  0.394  1.0
  O  O18  1  0.467  0.533  0.417  1.0
  O  O19  1  0.533  0.467  0.917  1.0
  O  O20  1  0.203  0.797  0.894  1.0
  O  O21  1  0.849  0.151  0.889  1.0
  O  O22  1  0.023  0.977  0.758  1.0
  O  O23  1  0.692  0.308  0.756  1.0
  O  O24  1  0.347  0.653  0.734  1.0
  O  O25  1  0.977  0.023  0.258  1.0
  O  O26  1  0.653  0.347  0.234  1.0
  O  O27  1  0.308  0.692  0.256  1.0
[/CIF]
.