The compound described by NaSc(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. Sc(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ScO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. W(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one W(1) atom. is represented by the CIF card [CIF]
data_NaSc(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   5.877
_cell_length_c   10.193
_cell_angle_alpha   90.000
_cell_angle_beta   91.442
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.600
_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  0.750  0.671  0.500  1.0
  Na  Na1  1  0.250  0.329  0.500  1.0
  Sc  Sc2  1  0.750  0.672  0.000  1.0
  Sc  Sc3  1  0.250  0.328  0.000  1.0
  W  W4  1  0.248  0.829  0.761  1.0
  W  W5  1  0.752  0.171  0.239  1.0
  W  W6  1  0.252  0.829  0.239  1.0
  W  W7  1  0.748  0.171  0.761  1.0
  O  O8  1  0.620  0.369  0.645  1.0
  O  O9  1  0.380  0.631  0.355  1.0
  O  O10  1  0.880  0.369  0.355  1.0
  O  O11  1  0.120  0.631  0.645  1.0
  O  O12  1  0.560  0.903  0.671  1.0
  O  O13  1  0.440  0.097  0.329  1.0
  O  O14  1  0.940  0.903  0.329  1.0
  O  O15  1  0.060  0.097  0.671  1.0
  O  O16  1  0.938  0.883  0.871  1.0
  O  O17  1  0.062  0.117  0.129  1.0
  O  O18  1  0.562  0.883  0.129  1.0
  O  O19  1  0.438  0.117  0.871  1.0
  O  O20  1  0.900  0.371  0.889  1.0
  O  O21  1  0.100  0.629  0.111  1.0
  O  O22  1  0.600  0.371  0.111  1.0
  O  O23  1  0.400  0.629  0.889  1.0
[/CIF]
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The compound described by NaSc(WO4)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. Sc(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ScO6 octahedra that share corners with eight equivalent W(1)O6 octahedra and edges with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. W(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one W(1) atom. is represented by the CIF card [CIF]
data_NaSc(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.153
_cell_length_b   5.877
_cell_length_c   10.193
_cell_angle_alpha   90.000
_cell_angle_beta   91.442
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.600
_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  0.750  0.671  0.500  1.0
  Na  Na1  1  0.250  0.329  0.500  1.0
  Sc  Sc2  1  0.750  0.672  0.000  1.0
  Sc  Sc3  1  0.250  0.328  0.000  1.0
  W  W4  1  0.248  0.829  0.761  1.0
  W  W5  1  0.752  0.171  0.239  1.0
  W  W6  1  0.252  0.829  0.239  1.0
  W  W7  1  0.748  0.171  0.761  1.0
  O  O8  1  0.620  0.369  0.645  1.0
  O  O9  1  0.380  0.631  0.355  1.0
  O  O10  1  0.880  0.369  0.355  1.0
  O  O11  1  0.120  0.631  0.645  1.0
  O  O12  1  0.560  0.903  0.671  1.0
  O  O13  1  0.440  0.097  0.329  1.0
  O  O14  1  0.940  0.903  0.329  1.0
  O  O15  1  0.060  0.097  0.671  1.0
  O  O16  1  0.938  0.883  0.871  1.0
  O  O17  1  0.062  0.117  0.129  1.0
  O  O18  1  0.562  0.883  0.129  1.0
  O  O19  1  0.438  0.117  0.871  1.0
  O  O20  1  0.900  0.371  0.889  1.0
  O  O21  1  0.100  0.629  0.111  1.0
  O  O22  1  0.600  0.371  0.111  1.0
  O  O23  1  0.400  0.629  0.889  1.0
[/CIF]
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