The material described by SrNdScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Sc(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and one Sc(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and one Sc(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_SrNdScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.374
_symmetry_Int_Tables_number   1
_cell_volume   207.465
_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
  Sr  Sr0  1  0.896  0.104  0.487  1.0
  Sr  Sr1  1  0.104  0.896  0.987  1.0
  Nd  Nd2  1  0.608  0.392  0.514  1.0
  Nd  Nd3  1  0.392  0.608  0.014  1.0
  Sc  Sc4  1  0.246  0.754  0.505  1.0
  Sc  Sc5  1  0.754  0.246  0.005  1.0
  O  O6  1  0.916  0.084  0.066  1.0
  O  O7  1  0.569  0.431  0.907  1.0
  O  O8  1  0.084  0.916  0.566  1.0
  O  O9  1  0.431  0.569  0.407  1.0
  O  O10  1  0.970  0.517  0.261  1.0
  O  O11  1  0.030  0.483  0.761  1.0
  O  O12  1  0.517  0.970  0.761  1.0
  O  O13  1  0.483  0.030  0.261  1.0
[/CIF]
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The material described by SrNdScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Sc(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and one Sc(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and one Sc(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_SrNdScO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.374
_symmetry_Int_Tables_number   1
_cell_volume   207.465
_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
  Sr  Sr0  1  0.896  0.104  0.487  1.0
  Sr  Sr1  1  0.104  0.896  0.987  1.0
  Nd  Nd2  1  0.608  0.392  0.514  1.0
  Nd  Nd3  1  0.392  0.608  0.014  1.0
  Sc  Sc4  1  0.246  0.754  0.505  1.0
  Sc  Sc5  1  0.754  0.246  0.005  1.0
  O  O6  1  0.916  0.084  0.066  1.0
  O  O7  1  0.569  0.431  0.907  1.0
  O  O8  1  0.084  0.916  0.566  1.0
  O  O9  1  0.431  0.569  0.407  1.0
  O  O10  1  0.970  0.517  0.261  1.0
  O  O11  1  0.030  0.483  0.761  1.0
  O  O12  1  0.517  0.970  0.761  1.0
  O  O13  1  0.483  0.030  0.261  1.0
[/CIF]
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