The crystal structure described by BaSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one 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(1), one Ba(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.161
_cell_length_b   7.297
_cell_length_c   7.647
_cell_angle_alpha   89.353
_cell_angle_beta   89.586
_cell_angle_gamma   88.280
_symmetry_Int_Tables_number   1
_cell_volume   399.376
_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  0.572  0.791  0.209  1.0
  Ba  Ba1  1  0.428  0.209  0.791  1.0
  Ba  Ba2  1  0.891  0.733  0.708  1.0
  Ba  Ba3  1  0.109  0.267  0.292  1.0
  Si  Si4  1  0.073  0.754  0.206  1.0
  Si  Si5  1  0.927  0.246  0.794  1.0
  Si  Si6  1  0.387  0.727  0.707  1.0
  Si  Si7  1  0.613  0.273  0.293  1.0
  O  O8  1  0.939  0.666  0.359  1.0
  O  O9  1  0.061  0.334  0.641  1.0
  O  O10  1  0.219  0.594  0.134  1.0
  O  O11  1  0.781  0.406  0.866  1.0
  O  O12  1  0.202  0.907  0.298  1.0
  O  O13  1  0.798  0.093  0.702  1.0
  O  O14  1  0.937  0.838  0.052  1.0
  O  O15  1  0.063  0.162  0.948  1.0
  O  O16  1  0.244  0.895  0.638  1.0
  O  O17  1  0.756  0.105  0.362  1.0
  O  O18  1  0.528  0.662  0.549  1.0
  O  O19  1  0.472  0.338  0.451  1.0
  O  O20  1  0.512  0.820  0.858  1.0
  O  O21  1  0.488  0.180  0.142  1.0
  O  O22  1  0.268  0.558  0.794  1.0
  O  O23  1  0.732  0.442  0.206  1.0
[/CIF]
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The crystal structure described by BaSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one 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(1), one Ba(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.161
_cell_length_b   7.297
_cell_length_c   7.647
_cell_angle_alpha   89.353
_cell_angle_beta   89.586
_cell_angle_gamma   88.280
_symmetry_Int_Tables_number   1
_cell_volume   399.376
_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  0.572  0.791  0.209  1.0
  Ba  Ba1  1  0.428  0.209  0.791  1.0
  Ba  Ba2  1  0.891  0.733  0.708  1.0
  Ba  Ba3  1  0.109  0.267  0.292  1.0
  Si  Si4  1  0.073  0.754  0.206  1.0
  Si  Si5  1  0.927  0.246  0.794  1.0
  Si  Si6  1  0.387  0.727  0.707  1.0
  Si  Si7  1  0.613  0.273  0.293  1.0
  O  O8  1  0.939  0.666  0.359  1.0
  O  O9  1  0.061  0.334  0.641  1.0
  O  O10  1  0.219  0.594  0.134  1.0
  O  O11  1  0.781  0.406  0.866  1.0
  O  O12  1  0.202  0.907  0.298  1.0
  O  O13  1  0.798  0.093  0.702  1.0
  O  O14  1  0.937  0.838  0.052  1.0
  O  O15  1  0.063  0.162  0.948  1.0
  O  O16  1  0.244  0.895  0.638  1.0
  O  O17  1  0.756  0.105  0.362  1.0
  O  O18  1  0.528  0.662  0.549  1.0
  O  O19  1  0.472  0.338  0.451  1.0
  O  O20  1  0.512  0.820  0.858  1.0
  O  O21  1  0.488  0.180  0.142  1.0
  O  O22  1  0.268  0.558  0.794  1.0
  O  O23  1  0.732  0.442  0.206  1.0
[/CIF]
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