The crystal structure described by ScV2O2 crystallizes in the tetragonal I4_1/amd space group. Sc(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. V(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded to three equivalent Sc(1) and one V(1) atom to form a mixture of distorted corner and edge-sharing OSc3V tetrahedra. is represented by the CIF card [CIF]
data_ScV2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.476
_cell_length_c   7.476
_cell_angle_alpha   114.275
_cell_angle_beta   114.275
_cell_angle_gamma   100.239
_symmetry_Int_Tables_number   1
_cell_volume   315.533
_cell_formula_units_Z   4
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  0.875  0.125  0.750  1.0
  Sc  Sc1  1  0.375  0.125  0.250  1.0
  Sc  Sc2  1  0.875  0.625  0.750  1.0
  Sc  Sc3  1  0.875  0.125  0.250  1.0
  V  V4  1  0.700  0.489  0.211  1.0
  V  V5  1  0.277  0.489  0.789  1.0
  V  V6  1  0.239  0.527  0.289  1.0
  V  V7  1  0.473  0.761  0.711  1.0
  V  V8  1  0.050  0.761  0.289  1.0
  V  V9  1  0.239  0.950  0.711  1.0
  V  V10  1  0.511  0.723  0.211  1.0
  V  V11  1  0.511  0.300  0.789  1.0
  O  O12  1  0.684  0.341  0.343  1.0
  O  O13  1  0.998  0.341  0.657  1.0
  O  O14  1  0.091  0.248  0.157  1.0
  O  O15  1  0.752  0.909  0.843  1.0
  O  O16  1  0.066  0.909  0.157  1.0
  O  O17  1  0.091  0.934  0.843  1.0
  O  O18  1  0.659  0.002  0.343  1.0
  O  O19  1  0.659  0.316  0.657  1.0
[/CIF]
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The crystal structure described by ScV2O2 crystallizes in the tetragonal I4_1/amd space group. Sc(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. V(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded to three equivalent Sc(1) and one V(1) atom to form a mixture of distorted corner and edge-sharing OSc3V tetrahedra. is represented by the CIF card [CIF]
data_ScV2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.476
_cell_length_c   7.476
_cell_angle_alpha   114.275
_cell_angle_beta   114.275
_cell_angle_gamma   100.239
_symmetry_Int_Tables_number   1
_cell_volume   315.533
_cell_formula_units_Z   4
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  0.875  0.125  0.750  1.0
  Sc  Sc1  1  0.375  0.125  0.250  1.0
  Sc  Sc2  1  0.875  0.625  0.750  1.0
  Sc  Sc3  1  0.875  0.125  0.250  1.0
  V  V4  1  0.700  0.489  0.211  1.0
  V  V5  1  0.277  0.489  0.789  1.0
  V  V6  1  0.239  0.527  0.289  1.0
  V  V7  1  0.473  0.761  0.711  1.0
  V  V8  1  0.050  0.761  0.289  1.0
  V  V9  1  0.239  0.950  0.711  1.0
  V  V10  1  0.511  0.723  0.211  1.0
  V  V11  1  0.511  0.300  0.789  1.0
  O  O12  1  0.684  0.341  0.343  1.0
  O  O13  1  0.998  0.341  0.657  1.0
  O  O14  1  0.091  0.248  0.157  1.0
  O  O15  1  0.752  0.909  0.843  1.0
  O  O16  1  0.066  0.909  0.157  1.0
  O  O17  1  0.091  0.934  0.843  1.0
  O  O18  1  0.659  0.002  0.343  1.0
  O  O19  1  0.659  0.316  0.657  1.0
[/CIF]
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