The material described by Y2Mn3O9 crystallizes in the hexagonal P6_3 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(1), three equivalent O(4), and three equivalent O(5) atoms. In the second Y site, Y(2) is bonded to one O(3), three equivalent O(4), and three equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Y(2)O7 pentagonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Mn(1) atoms to form distorted corner-sharing OYMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Y(2) and three equivalent Mn(1) atoms to form distorted corner-sharing OYMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Y2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   11.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   381.015
_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  0.667  0.333  0.229  1.0
  Y  Y1  1  0.333  0.667  0.729  1.0
  Y  Y2  1  0.000  0.000  0.776  1.0
  Y  Y3  1  0.000  0.000  0.276  1.0
  Mn  Mn4  1  0.670  0.005  0.503  1.0
  Mn  Mn5  1  0.664  0.670  0.003  1.0
  Mn  Mn6  1  0.005  0.336  0.003  1.0
  Mn  Mn7  1  0.995  0.664  0.503  1.0
  Mn  Mn8  1  0.336  0.330  0.503  1.0
  Mn  Mn9  1  0.330  0.995  0.003  1.0
  O  O10  1  0.667  0.333  0.015  1.0
  O  O11  1  0.333  0.667  0.515  1.0
  O  O12  1  0.667  0.333  0.522  1.0
  O  O13  1  0.333  0.667  0.022  1.0
  O  O14  1  0.000  0.000  0.977  1.0
  O  O15  1  0.000  0.000  0.477  1.0
  O  O16  1  0.332  0.960  0.849  1.0
  O  O17  1  0.372  0.332  0.349  1.0
  O  O18  1  0.960  0.628  0.349  1.0
  O  O19  1  0.040  0.372  0.849  1.0
  O  O20  1  0.628  0.668  0.849  1.0
  O  O21  1  0.668  0.040  0.349  1.0
  O  O22  1  0.300  0.021  0.156  1.0
  O  O23  1  0.279  0.300  0.656  1.0
  O  O24  1  0.021  0.721  0.656  1.0
  O  O25  1  0.979  0.279  0.156  1.0
  O  O26  1  0.721  0.700  0.156  1.0
  O  O27  1  0.700  0.979  0.656  1.0
[/CIF]
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The material described by Y2Mn3O9 crystallizes in the hexagonal P6_3 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(1), three equivalent O(4), and three equivalent O(5) atoms. In the second Y site, Y(2) is bonded to one O(3), three equivalent O(4), and three equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Y(2)O7 pentagonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Mn(1) atoms to form distorted corner-sharing OYMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Y(2) and three equivalent Mn(1) atoms to form distorted corner-sharing OYMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Y2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.058
_cell_length_b   6.058
_cell_length_c   11.988
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   381.015
_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  0.667  0.333  0.229  1.0
  Y  Y1  1  0.333  0.667  0.729  1.0
  Y  Y2  1  0.000  0.000  0.776  1.0
  Y  Y3  1  0.000  0.000  0.276  1.0
  Mn  Mn4  1  0.670  0.005  0.503  1.0
  Mn  Mn5  1  0.664  0.670  0.003  1.0
  Mn  Mn6  1  0.005  0.336  0.003  1.0
  Mn  Mn7  1  0.995  0.664  0.503  1.0
  Mn  Mn8  1  0.336  0.330  0.503  1.0
  Mn  Mn9  1  0.330  0.995  0.003  1.0
  O  O10  1  0.667  0.333  0.015  1.0
  O  O11  1  0.333  0.667  0.515  1.0
  O  O12  1  0.667  0.333  0.522  1.0
  O  O13  1  0.333  0.667  0.022  1.0
  O  O14  1  0.000  0.000  0.977  1.0
  O  O15  1  0.000  0.000  0.477  1.0
  O  O16  1  0.332  0.960  0.849  1.0
  O  O17  1  0.372  0.332  0.349  1.0
  O  O18  1  0.960  0.628  0.349  1.0
  O  O19  1  0.040  0.372  0.849  1.0
  O  O20  1  0.628  0.668  0.849  1.0
  O  O21  1  0.668  0.040  0.349  1.0
  O  O22  1  0.300  0.021  0.156  1.0
  O  O23  1  0.279  0.300  0.656  1.0
  O  O24  1  0.021  0.721  0.656  1.0
  O  O25  1  0.979  0.279  0.156  1.0
  O  O26  1  0.721  0.700  0.156  1.0
  O  O27  1  0.700  0.979  0.656  1.0
[/CIF]
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