The crystal structure described by GdCrO4 is Zircon structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.066
_cell_length_c   6.032
_cell_angle_alpha   106.123
_cell_angle_beta   106.026
_cell_angle_gamma   116.714
_symmetry_Int_Tables_number   1
_cell_volume   168.375
_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
  Gd  Gd0  1  0.125  0.875  0.250  1.0
  Gd  Gd1  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  0.784  0.730  0.416  1.0
  O  O5  1  0.367  0.803  0.572  1.0
  O  O6  1  0.731  0.795  0.928  1.0
  O  O7  1  0.814  0.368  0.084  1.0
  O  O8  1  0.633  0.208  0.439  1.0
  O  O9  1  0.185  0.270  0.552  1.0
  O  O10  1  0.269  0.194  0.061  1.0
  O  O11  1  0.217  0.632  0.948  1.0
[/CIF]
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The crystal structure described by GdCrO4 is Zircon structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.066
_cell_length_b   6.066
_cell_length_c   6.032
_cell_angle_alpha   106.123
_cell_angle_beta   106.026
_cell_angle_gamma   116.714
_symmetry_Int_Tables_number   1
_cell_volume   168.375
_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
  Gd  Gd0  1  0.125  0.875  0.250  1.0
  Gd  Gd1  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  0.784  0.730  0.416  1.0
  O  O5  1  0.367  0.803  0.572  1.0
  O  O6  1  0.731  0.795  0.928  1.0
  O  O7  1  0.814  0.368  0.084  1.0
  O  O8  1  0.633  0.208  0.439  1.0
  O  O9  1  0.185  0.270  0.552  1.0
  O  O10  1  0.269  0.194  0.061  1.0
  O  O11  1  0.217  0.632  0.948  1.0
[/CIF]
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