The compound described by ScCrO4 is Zircon structured and crystallizes in the orthorhombic Imma space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cr(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_ScCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   5.748
_cell_angle_alpha   105.339
_cell_angle_beta   107.850
_cell_angle_gamma   115.401
_symmetry_Int_Tables_number   1
_cell_volume   144.946
_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  0.864  0.114  0.750  1.0
  Sc  Sc1  1  0.136  0.886  0.250  1.0
  Cr  Cr2  1  0.633  0.383  0.250  1.0
  Cr  Cr3  1  0.367  0.617  0.750  1.0
  O  O4  1  0.805  0.363  0.058  1.0
  O  O5  1  0.252  0.191  0.061  1.0
  O  O6  1  0.631  0.191  0.439  1.0
  O  O7  1  0.805  0.746  0.442  1.0
  O  O8  1  0.195  0.254  0.558  1.0
  O  O9  1  0.370  0.809  0.561  1.0
  O  O10  1  0.748  0.809  0.939  1.0
  O  O11  1  0.196  0.637  0.942  1.0
[/CIF]
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The compound described by ScCrO4 is Zircon structured and crystallizes in the orthorhombic Imma space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cr(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_ScCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   5.748
_cell_angle_alpha   105.339
_cell_angle_beta   107.850
_cell_angle_gamma   115.401
_symmetry_Int_Tables_number   1
_cell_volume   144.946
_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  0.864  0.114  0.750  1.0
  Sc  Sc1  1  0.136  0.886  0.250  1.0
  Cr  Cr2  1  0.633  0.383  0.250  1.0
  Cr  Cr3  1  0.367  0.617  0.750  1.0
  O  O4  1  0.805  0.363  0.058  1.0
  O  O5  1  0.252  0.191  0.061  1.0
  O  O6  1  0.631  0.191  0.439  1.0
  O  O7  1  0.805  0.746  0.442  1.0
  O  O8  1  0.195  0.254  0.558  1.0
  O  O9  1  0.370  0.809  0.561  1.0
  O  O10  1  0.748  0.809  0.939  1.0
  O  O11  1  0.196  0.637  0.942  1.0
[/CIF]
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