The material structure described by YMn(WO4)2 crystallizes in the triclinic P-1 space group. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second W site, W(2) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form WO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. 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 distorted MnO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Y(1), one W(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(2) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one W(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one W(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_YMn(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.874
_cell_length_c   10.119
_cell_angle_alpha   89.513
_cell_angle_beta   93.828
_cell_angle_gamma   88.881
_symmetry_Int_Tables_number   1
_cell_volume   309.823
_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  0.242  0.683  0.240  1.0
  Y  Y1  1  0.758  0.317  0.760  1.0
  Mn  Mn2  1  0.747  0.303  0.237  1.0
  Mn  Mn3  1  0.253  0.697  0.763  1.0
  W  W4  1  0.249  0.170  0.496  1.0
  W  W5  1  0.751  0.830  0.504  1.0
  W  W6  1  0.243  0.168  0.005  1.0
  W  W7  1  0.757  0.832  0.995  1.0
  O  O8  1  0.391  0.372  0.141  1.0
  O  O9  1  0.609  0.628  0.859  1.0
  O  O10  1  0.095  0.366  0.371  1.0
  O  O11  1  0.905  0.634  0.629  1.0
  O  O12  1  0.454  0.901  0.606  1.0
  O  O13  1  0.546  0.099  0.394  1.0
  O  O14  1  0.045  0.921  0.884  1.0
  O  O15  1  0.955  0.079  0.116  1.0
  O  O16  1  0.874  0.609  0.123  1.0
  O  O17  1  0.126  0.391  0.877  1.0
  O  O18  1  0.610  0.631  0.383  1.0
  O  O19  1  0.390  0.369  0.617  1.0
  O  O20  1  0.434  0.890  0.097  1.0
  O  O21  1  0.566  0.110  0.903  1.0
  O  O22  1  0.054  0.891  0.403  1.0
  O  O23  1  0.946  0.109  0.597  1.0
[/CIF]
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The material structure described by YMn(WO4)2 crystallizes in the triclinic P-1 space group. Y(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the second W site, W(2) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form WO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. 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 distorted MnO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Y(1), one W(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent W(2) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one W(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one W(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_YMn(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.874
_cell_length_c   10.119
_cell_angle_alpha   89.513
_cell_angle_beta   93.828
_cell_angle_gamma   88.881
_symmetry_Int_Tables_number   1
_cell_volume   309.823
_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  0.242  0.683  0.240  1.0
  Y  Y1  1  0.758  0.317  0.760  1.0
  Mn  Mn2  1  0.747  0.303  0.237  1.0
  Mn  Mn3  1  0.253  0.697  0.763  1.0
  W  W4  1  0.249  0.170  0.496  1.0
  W  W5  1  0.751  0.830  0.504  1.0
  W  W6  1  0.243  0.168  0.005  1.0
  W  W7  1  0.757  0.832  0.995  1.0
  O  O8  1  0.391  0.372  0.141  1.0
  O  O9  1  0.609  0.628  0.859  1.0
  O  O10  1  0.095  0.366  0.371  1.0
  O  O11  1  0.905  0.634  0.629  1.0
  O  O12  1  0.454  0.901  0.606  1.0
  O  O13  1  0.546  0.099  0.394  1.0
  O  O14  1  0.045  0.921  0.884  1.0
  O  O15  1  0.955  0.079  0.116  1.0
  O  O16  1  0.874  0.609  0.123  1.0
  O  O17  1  0.126  0.391  0.877  1.0
  O  O18  1  0.610  0.631  0.383  1.0
  O  O19  1  0.390  0.369  0.617  1.0
  O  O20  1  0.434  0.890  0.097  1.0
  O  O21  1  0.566  0.110  0.903  1.0
  O  O22  1  0.054  0.891  0.403  1.0
  O  O23  1  0.946  0.109  0.597  1.0
[/CIF]
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