The crystal structure described by NaYWMnO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(6) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Y(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Y(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to two equivalent Y(1), one W(1), and one Mn(1) atom to form distorted OY2MnW trigonal pyramids that share corners with two equivalent O(6)Na2MnW tetrahedra and corners with two equivalent O(5)Y2MnW trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Na(1), one W(1), and one Mn(1) atom to form distorted ONa2MnW tetrahedra that share corners with two equivalent O(6)Na2MnW tetrahedra and corners with two equivalent O(5)Y2MnW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.678
_cell_length_c   7.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.138
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.718
_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
  Na  Na0  1  0.253  0.738  0.001  1.0
  Na  Na1  1  0.747  0.238  0.999  1.0
  Y  Y2  1  0.266  0.836  0.502  1.0
  Y  Y3  1  0.734  0.336  0.498  1.0
  Mn  Mn4  1  0.753  0.780  0.243  1.0
  Mn  Mn5  1  0.247  0.280  0.757  1.0
  W  W6  1  0.763  0.770  0.757  1.0
  W  W7  1  0.237  0.270  0.243  1.0
  O  O8  1  0.569  0.045  0.677  1.0
  O  O9  1  0.431  0.545  0.323  1.0
  O  O10  1  0.530  0.079  0.321  1.0
  O  O11  1  0.470  0.579  0.679  1.0
  O  O12  1  0.938  0.436  0.225  1.0
  O  O13  1  0.062  0.936  0.775  1.0
  O  O14  1  0.911  0.465  0.785  1.0
  O  O15  1  0.089  0.965  0.215  1.0
  O  O16  1  0.866  0.725  0.507  1.0
  O  O17  1  0.134  0.225  0.493  1.0
  O  O18  1  0.670  0.809  0.979  1.0
  O  O19  1  0.330  0.309  0.021  1.0
[/CIF]
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The crystal structure described by NaYWMnO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(6) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Y(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Y(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to two equivalent Y(1), one W(1), and one Mn(1) atom to form distorted OY2MnW trigonal pyramids that share corners with two equivalent O(6)Na2MnW tetrahedra and corners with two equivalent O(5)Y2MnW trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Na(1), one W(1), and one Mn(1) atom to form distorted ONa2MnW tetrahedra that share corners with two equivalent O(6)Na2MnW tetrahedra and corners with two equivalent O(5)Y2MnW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaYMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.678
_cell_length_c   7.999
_cell_angle_alpha   90.000
_cell_angle_beta   90.138
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.718
_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
  Na  Na0  1  0.253  0.738  0.001  1.0
  Na  Na1  1  0.747  0.238  0.999  1.0
  Y  Y2  1  0.266  0.836  0.502  1.0
  Y  Y3  1  0.734  0.336  0.498  1.0
  Mn  Mn4  1  0.753  0.780  0.243  1.0
  Mn  Mn5  1  0.247  0.280  0.757  1.0
  W  W6  1  0.763  0.770  0.757  1.0
  W  W7  1  0.237  0.270  0.243  1.0
  O  O8  1  0.569  0.045  0.677  1.0
  O  O9  1  0.431  0.545  0.323  1.0
  O  O10  1  0.530  0.079  0.321  1.0
  O  O11  1  0.470  0.579  0.679  1.0
  O  O12  1  0.938  0.436  0.225  1.0
  O  O13  1  0.062  0.936  0.775  1.0
  O  O14  1  0.911  0.465  0.785  1.0
  O  O15  1  0.089  0.965  0.215  1.0
  O  O16  1  0.866  0.725  0.507  1.0
  O  O17  1  0.134  0.225  0.493  1.0
  O  O18  1  0.670  0.809  0.979  1.0
  O  O19  1  0.330  0.309  0.021  1.0
[/CIF]
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