The material described by Sc2(WO4)3 crystallizes in the monoclinic P2/c space group. Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form ScO6 octahedra that share corners with three equivalent W(2)O6 octahedra, corners with five equivalent W(1)O6 octahedra, and  an edgeedge with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form distorted WO6 octahedra that share corners with five equivalent Sc(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sc(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Sc(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sc(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one W(1) atom. is represented by the CIF file [CIF]
data_Sc2(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   6.974
_cell_length_c   11.046
_cell_angle_alpha   74.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.060
_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
  Sc  Sc0  1  0.662  0.320  0.593  1.0
  Sc  Sc1  1  0.662  0.680  0.907  1.0
  Sc  Sc2  1  0.338  0.680  0.407  1.0
  Sc  Sc3  1  0.338  0.320  0.093  1.0
  W  W4  1  0.168  0.838  0.076  1.0
  W  W5  1  0.178  0.500  0.750  1.0
  W  W6  1  0.168  0.162  0.424  1.0
  W  W7  1  0.832  0.162  0.924  1.0
  W  W8  1  0.832  0.838  0.576  1.0
  W  W9  1  0.822  0.500  0.250  1.0
  O  O10  1  0.099  0.968  0.907  1.0
  O  O11  1  0.117  0.644  0.572  1.0
  O  O12  1  0.108  0.308  0.243  1.0
  O  O13  1  0.099  0.032  0.593  1.0
  O  O14  1  0.108  0.692  0.257  1.0
  O  O15  1  0.117  0.356  0.928  1.0
  O  O16  1  0.892  0.692  0.757  1.0
  O  O17  1  0.883  0.356  0.428  1.0
  O  O18  1  0.901  0.032  0.092  1.0
  O  O19  1  0.883  0.644  0.072  1.0
  O  O20  1  0.892  0.308  0.743  1.0
  O  O21  1  0.901  0.968  0.407  1.0
  O  O22  1  0.382  0.332  0.709  1.0
  O  O23  1  0.366  0.981  0.389  1.0
  O  O24  1  0.370  0.645  0.045  1.0
  O  O25  1  0.370  0.355  0.455  1.0
  O  O26  1  0.366  0.019  0.111  1.0
  O  O27  1  0.382  0.668  0.791  1.0
  O  O28  1  0.618  0.668  0.291  1.0
  O  O29  1  0.630  0.355  0.955  1.0
  O  O30  1  0.634  0.019  0.611  1.0
  O  O31  1  0.630  0.645  0.545  1.0
  O  O32  1  0.618  0.332  0.209  1.0
  O  O33  1  0.634  0.981  0.889  1.0
[/CIF]
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The material described by Sc2(WO4)3 crystallizes in the monoclinic P2/c space group. Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form ScO6 octahedra that share corners with three equivalent W(2)O6 octahedra, corners with five equivalent W(1)O6 octahedra, and  an edgeedge with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form distorted WO6 octahedra that share corners with five equivalent Sc(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sc(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Sc(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sc(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one W(1) atom. is represented by the CIF file [CIF]
data_Sc2(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   6.974
_cell_length_c   11.046
_cell_angle_alpha   74.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.060
_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
  Sc  Sc0  1  0.662  0.320  0.593  1.0
  Sc  Sc1  1  0.662  0.680  0.907  1.0
  Sc  Sc2  1  0.338  0.680  0.407  1.0
  Sc  Sc3  1  0.338  0.320  0.093  1.0
  W  W4  1  0.168  0.838  0.076  1.0
  W  W5  1  0.178  0.500  0.750  1.0
  W  W6  1  0.168  0.162  0.424  1.0
  W  W7  1  0.832  0.162  0.924  1.0
  W  W8  1  0.832  0.838  0.576  1.0
  W  W9  1  0.822  0.500  0.250  1.0
  O  O10  1  0.099  0.968  0.907  1.0
  O  O11  1  0.117  0.644  0.572  1.0
  O  O12  1  0.108  0.308  0.243  1.0
  O  O13  1  0.099  0.032  0.593  1.0
  O  O14  1  0.108  0.692  0.257  1.0
  O  O15  1  0.117  0.356  0.928  1.0
  O  O16  1  0.892  0.692  0.757  1.0
  O  O17  1  0.883  0.356  0.428  1.0
  O  O18  1  0.901  0.032  0.092  1.0
  O  O19  1  0.883  0.644  0.072  1.0
  O  O20  1  0.892  0.308  0.743  1.0
  O  O21  1  0.901  0.968  0.407  1.0
  O  O22  1  0.382  0.332  0.709  1.0
  O  O23  1  0.366  0.981  0.389  1.0
  O  O24  1  0.370  0.645  0.045  1.0
  O  O25  1  0.370  0.355  0.455  1.0
  O  O26  1  0.366  0.019  0.111  1.0
  O  O27  1  0.382  0.668  0.791  1.0
  O  O28  1  0.618  0.668  0.291  1.0
  O  O29  1  0.630  0.355  0.955  1.0
  O  O30  1  0.634  0.019  0.611  1.0
  O  O31  1  0.630  0.645  0.545  1.0
  O  O32  1  0.618  0.332  0.209  1.0
  O  O33  1  0.634  0.981  0.889  1.0
[/CIF]
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