The crystal structure described by BaNdGaO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), three equivalent O(1), and three equivalent O(2) atoms. Nd(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. Ga(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_BaNdGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   7.194
_cell_length_c   10.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.618
_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
  Ba  Ba0  1  0.506  0.423  0.078  1.0
  Ba  Ba1  1  0.006  0.077  0.922  1.0
  Ba  Ba2  1  0.494  0.923  0.422  1.0
  Ba  Ba3  1  0.994  0.577  0.578  1.0
  Nd  Nd4  1  0.512  0.253  0.701  1.0
  Nd  Nd5  1  0.012  0.247  0.299  1.0
  Nd  Nd6  1  0.488  0.753  0.799  1.0
  Nd  Nd7  1  0.988  0.747  0.201  1.0
  Ga  Ga8  1  0.486  0.467  0.417  1.0
  Ga  Ga9  1  0.986  0.033  0.583  1.0
  Ga  Ga10  1  0.514  0.967  0.083  1.0
  Ga  Ga11  1  0.014  0.533  0.917  1.0
  O  O12  1  0.501  0.600  0.578  1.0
  O  O13  1  0.001  0.900  0.422  1.0
  O  O14  1  0.499  0.100  0.922  1.0
  O  O15  1  0.999  0.400  0.078  1.0
  O  O16  1  0.257  0.554  0.301  1.0
  O  O17  1  0.757  0.946  0.699  1.0
  O  O18  1  0.743  0.054  0.199  1.0
  O  O19  1  0.243  0.446  0.801  1.0
  O  O20  1  0.332  0.253  0.471  1.0
  O  O21  1  0.832  0.247  0.529  1.0
  O  O22  1  0.668  0.753  0.029  1.0
  O  O23  1  0.168  0.747  0.971  1.0
  O  O24  1  0.748  0.512  0.317  1.0
  O  O25  1  0.248  0.988  0.683  1.0
  O  O26  1  0.252  0.012  0.183  1.0
  O  O27  1  0.752  0.488  0.817  1.0
[/CIF]
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The crystal structure described by BaNdGaO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), three equivalent O(1), and three equivalent O(2) atoms. Nd(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. Ga(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_BaNdGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   7.194
_cell_length_c   10.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.618
_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
  Ba  Ba0  1  0.506  0.423  0.078  1.0
  Ba  Ba1  1  0.006  0.077  0.922  1.0
  Ba  Ba2  1  0.494  0.923  0.422  1.0
  Ba  Ba3  1  0.994  0.577  0.578  1.0
  Nd  Nd4  1  0.512  0.253  0.701  1.0
  Nd  Nd5  1  0.012  0.247  0.299  1.0
  Nd  Nd6  1  0.488  0.753  0.799  1.0
  Nd  Nd7  1  0.988  0.747  0.201  1.0
  Ga  Ga8  1  0.486  0.467  0.417  1.0
  Ga  Ga9  1  0.986  0.033  0.583  1.0
  Ga  Ga10  1  0.514  0.967  0.083  1.0
  Ga  Ga11  1  0.014  0.533  0.917  1.0
  O  O12  1  0.501  0.600  0.578  1.0
  O  O13  1  0.001  0.900  0.422  1.0
  O  O14  1  0.499  0.100  0.922  1.0
  O  O15  1  0.999  0.400  0.078  1.0
  O  O16  1  0.257  0.554  0.301  1.0
  O  O17  1  0.757  0.946  0.699  1.0
  O  O18  1  0.743  0.054  0.199  1.0
  O  O19  1  0.243  0.446  0.801  1.0
  O  O20  1  0.332  0.253  0.471  1.0
  O  O21  1  0.832  0.247  0.529  1.0
  O  O22  1  0.668  0.753  0.029  1.0
  O  O23  1  0.168  0.747  0.971  1.0
  O  O24  1  0.748  0.512  0.317  1.0
  O  O25  1  0.248  0.988  0.683  1.0
  O  O26  1  0.252  0.012  0.183  1.0
  O  O27  1  0.752  0.488  0.817  1.0
[/CIF]
.