The structure described by NdCrO4 is Zircon structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_NdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.095
_cell_length_c   6.095
_cell_angle_alpha   106.005
_cell_angle_beta   106.005
_cell_angle_gamma   116.652
_symmetry_Int_Tables_number   1
_cell_volume   172.261
_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
  Nd  Nd0  1  0.125  0.875  0.250  1.0
  Nd  Nd1  1  0.875  0.125  0.750  1.0
  Cr  Cr2  1  0.375  0.625  0.750  1.0
  Cr  Cr3  1  0.625  0.375  0.250  1.0
  O  O4  1  0.795  0.723  0.428  1.0
  O  O5  1  0.364  0.793  0.570  1.0
  O  O6  1  0.723  0.793  0.930  1.0
  O  O7  1  0.795  0.367  0.072  1.0
  O  O8  1  0.633  0.205  0.428  1.0
  O  O9  1  0.207  0.277  0.570  1.0
  O  O10  1  0.207  0.636  0.930  1.0
  O  O11  1  0.277  0.205  0.072  1.0
[/CIF]
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The structure described by NdCrO4 is Zircon structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(1) atom. is represented by the CIF card [CIF]
data_NdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.095
_cell_length_b   6.095
_cell_length_c   6.095
_cell_angle_alpha   106.005
_cell_angle_beta   106.005
_cell_angle_gamma   116.652
_symmetry_Int_Tables_number   1
_cell_volume   172.261
_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
  Nd  Nd0  1  0.125  0.875  0.250  1.0
  Nd  Nd1  1  0.875  0.125  0.750  1.0
  Cr  Cr2  1  0.375  0.625  0.750  1.0
  Cr  Cr3  1  0.625  0.375  0.250  1.0
  O  O4  1  0.795  0.723  0.428  1.0
  O  O5  1  0.364  0.793  0.570  1.0
  O  O6  1  0.723  0.793  0.930  1.0
  O  O7  1  0.795  0.367  0.072  1.0
  O  O8  1  0.633  0.205  0.428  1.0
  O  O9  1  0.207  0.277  0.570  1.0
  O  O10  1  0.207  0.636  0.930  1.0
  O  O11  1  0.277  0.205  0.072  1.0
[/CIF]
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