The compound described by Ba2SiO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. Si(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 two equivalent Ba(1), three equivalent Ba(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), three equivalent Ba(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.828
_cell_length_b   7.559
_cell_length_c   10.284
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.056
_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  0.306  1.0
  Ba  Ba1  1  0.750  0.008  0.694  1.0
  Ba  Ba2  1  0.250  0.492  0.194  1.0
  Ba  Ba3  1  0.750  0.508  0.806  1.0
  Ba  Ba4  1  0.250  0.160  0.915  1.0
  Ba  Ba5  1  0.750  0.840  0.085  1.0
  Ba  Ba6  1  0.250  0.660  0.585  1.0
  Ba  Ba7  1  0.750  0.340  0.415  1.0
  Si  Si8  1  0.250  0.228  0.580  1.0
  Si  Si9  1  0.750  0.772  0.420  1.0
  Si  Si10  1  0.250  0.728  0.920  1.0
  Si  Si11  1  0.750  0.272  0.080  1.0
  O  O12  1  0.520  0.693  0.349  1.0
  O  O13  1  0.020  0.307  0.651  1.0
  O  O14  1  0.980  0.193  0.151  1.0
  O  O15  1  0.480  0.807  0.849  1.0
  O  O16  1  0.480  0.307  0.651  1.0
  O  O17  1  0.980  0.693  0.349  1.0
  O  O18  1  0.020  0.807  0.849  1.0
  O  O19  1  0.520  0.193  0.151  1.0
  O  O20  1  0.250  0.307  0.430  1.0
  O  O21  1  0.750  0.693  0.570  1.0
  O  O22  1  0.250  0.807  0.070  1.0
  O  O23  1  0.750  0.193  0.930  1.0
  O  O24  1  0.750  0.487  0.084  1.0
  O  O25  1  0.250  0.513  0.916  1.0
  O  O26  1  0.750  0.987  0.416  1.0
  O  O27  1  0.250  0.013  0.584  1.0
[/CIF]
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The compound described by Ba2SiO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. Si(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 two equivalent Ba(1), three equivalent Ba(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), three equivalent Ba(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.828
_cell_length_b   7.559
_cell_length_c   10.284
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   453.056
_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  0.306  1.0
  Ba  Ba1  1  0.750  0.008  0.694  1.0
  Ba  Ba2  1  0.250  0.492  0.194  1.0
  Ba  Ba3  1  0.750  0.508  0.806  1.0
  Ba  Ba4  1  0.250  0.160  0.915  1.0
  Ba  Ba5  1  0.750  0.840  0.085  1.0
  Ba  Ba6  1  0.250  0.660  0.585  1.0
  Ba  Ba7  1  0.750  0.340  0.415  1.0
  Si  Si8  1  0.250  0.228  0.580  1.0
  Si  Si9  1  0.750  0.772  0.420  1.0
  Si  Si10  1  0.250  0.728  0.920  1.0
  Si  Si11  1  0.750  0.272  0.080  1.0
  O  O12  1  0.520  0.693  0.349  1.0
  O  O13  1  0.020  0.307  0.651  1.0
  O  O14  1  0.980  0.193  0.151  1.0
  O  O15  1  0.480  0.807  0.849  1.0
  O  O16  1  0.480  0.307  0.651  1.0
  O  O17  1  0.980  0.693  0.349  1.0
  O  O18  1  0.020  0.807  0.849  1.0
  O  O19  1  0.520  0.193  0.151  1.0
  O  O20  1  0.250  0.307  0.430  1.0
  O  O21  1  0.750  0.693  0.570  1.0
  O  O22  1  0.250  0.807  0.070  1.0
  O  O23  1  0.750  0.193  0.930  1.0
  O  O24  1  0.750  0.487  0.084  1.0
  O  O25  1  0.250  0.513  0.916  1.0
  O  O26  1  0.750  0.987  0.416  1.0
  O  O27  1  0.250  0.013  0.584  1.0
[/CIF]
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