The compound described by NaBaPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaNaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.534
_cell_length_b   7.727
_cell_length_c   10.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.799
_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  0.250  0.992  0.196  1.0
  Ba  Ba1  1  0.750  0.008  0.804  1.0
  Ba  Ba2  1  0.750  0.508  0.696  1.0
  Ba  Ba3  1  0.250  0.492  0.304  1.0
  Na  Na4  1  0.250  0.668  0.947  1.0
  Na  Na5  1  0.750  0.332  0.053  1.0
  Na  Na6  1  0.750  0.832  0.447  1.0
  Na  Na7  1  0.250  0.168  0.553  1.0
  P  P8  1  0.250  0.737  0.577  1.0
  P  P9  1  0.750  0.263  0.423  1.0
  P  P10  1  0.750  0.763  0.077  1.0
  P  P11  1  0.250  0.237  0.923  1.0
  O  O12  1  0.019  0.808  0.644  1.0
  O  O13  1  0.981  0.192  0.356  1.0
  O  O14  1  0.981  0.692  0.144  1.0
  O  O15  1  0.519  0.192  0.356  1.0
  O  O16  1  0.019  0.308  0.856  1.0
  O  O17  1  0.481  0.808  0.644  1.0
  O  O18  1  0.481  0.308  0.856  1.0
  O  O19  1  0.519  0.692  0.144  1.0
  O  O20  1  0.250  0.535  0.582  1.0
  O  O21  1  0.750  0.465  0.418  1.0
  O  O22  1  0.750  0.965  0.082  1.0
  O  O23  1  0.250  0.035  0.918  1.0
  O  O24  1  0.250  0.300  0.069  1.0
  O  O25  1  0.750  0.700  0.931  1.0
  O  O26  1  0.750  0.200  0.569  1.0
  O  O27  1  0.250  0.800  0.431  1.0
[/CIF]
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The compound described by NaBaPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), three equivalent Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaNaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.534
_cell_length_b   7.727
_cell_length_c   10.261
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.799
_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  0.250  0.992  0.196  1.0
  Ba  Ba1  1  0.750  0.008  0.804  1.0
  Ba  Ba2  1  0.750  0.508  0.696  1.0
  Ba  Ba3  1  0.250  0.492  0.304  1.0
  Na  Na4  1  0.250  0.668  0.947  1.0
  Na  Na5  1  0.750  0.332  0.053  1.0
  Na  Na6  1  0.750  0.832  0.447  1.0
  Na  Na7  1  0.250  0.168  0.553  1.0
  P  P8  1  0.250  0.737  0.577  1.0
  P  P9  1  0.750  0.263  0.423  1.0
  P  P10  1  0.750  0.763  0.077  1.0
  P  P11  1  0.250  0.237  0.923  1.0
  O  O12  1  0.019  0.808  0.644  1.0
  O  O13  1  0.981  0.192  0.356  1.0
  O  O14  1  0.981  0.692  0.144  1.0
  O  O15  1  0.519  0.192  0.356  1.0
  O  O16  1  0.019  0.308  0.856  1.0
  O  O17  1  0.481  0.808  0.644  1.0
  O  O18  1  0.481  0.308  0.856  1.0
  O  O19  1  0.519  0.692  0.144  1.0
  O  O20  1  0.250  0.535  0.582  1.0
  O  O21  1  0.750  0.465  0.418  1.0
  O  O22  1  0.750  0.965  0.082  1.0
  O  O23  1  0.250  0.035  0.918  1.0
  O  O24  1  0.250  0.300  0.069  1.0
  O  O25  1  0.750  0.700  0.931  1.0
  O  O26  1  0.750  0.200  0.569  1.0
  O  O27  1  0.250  0.800  0.431  1.0
[/CIF]
.