The structure described by BaSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent 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(2), two equivalent Ba(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_BaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.929
_cell_length_c   14.354
_cell_angle_alpha   62.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.331
_cell_formula_units_Z   8
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  0.898  0.789  0.625  1.0
  Ba  Ba1  1  0.593  0.258  0.165  1.0
  Ba  Ba2  1  0.398  0.211  0.875  1.0
  Ba  Ba3  1  0.093  0.742  0.335  1.0
  Ba  Ba4  1  0.907  0.258  0.665  1.0
  Ba  Ba5  1  0.602  0.789  0.125  1.0
  Ba  Ba6  1  0.407  0.742  0.835  1.0
  Ba  Ba7  1  0.102  0.211  0.375  1.0
  Si  Si8  1  0.851  0.452  0.887  1.0
  Si  Si9  1  0.087  0.172  0.090  1.0
  Si  Si10  1  0.351  0.548  0.613  1.0
  Si  Si11  1  0.587  0.828  0.410  1.0
  Si  Si12  1  0.413  0.172  0.590  1.0
  Si  Si13  1  0.649  0.452  0.387  1.0
  Si  Si14  1  0.913  0.828  0.910  1.0
  Si  Si15  1  0.149  0.548  0.113  1.0
  O  O16  1  0.091  0.316  0.148  1.0
  O  O17  1  0.635  0.398  0.953  1.0
  O  O18  1  0.338  0.562  0.721  1.0
  O  O19  1  0.553  0.677  0.539  1.0
  O  O20  1  0.393  0.973  0.355  1.0
  O  O21  1  0.053  0.323  0.961  1.0
  O  O22  1  0.812  0.928  0.401  1.0
  O  O23  1  0.838  0.438  0.779  1.0
  O  O24  1  0.135  0.602  0.547  1.0
  O  O25  1  0.312  0.072  0.099  1.0
  O  O26  1  0.893  0.027  0.145  1.0
  O  O27  1  0.409  0.316  0.648  1.0
  O  O28  1  0.591  0.684  0.352  1.0
  O  O29  1  0.107  0.973  0.855  1.0
  O  O30  1  0.688  0.928  0.901  1.0
  O  O31  1  0.865  0.398  0.453  1.0
  O  O32  1  0.162  0.562  0.221  1.0
  O  O33  1  0.188  0.072  0.599  1.0
  O  O34  1  0.947  0.677  0.039  1.0
  O  O35  1  0.607  0.027  0.645  1.0
  O  O36  1  0.447  0.323  0.461  1.0
  O  O37  1  0.662  0.438  0.279  1.0
  O  O38  1  0.365  0.602  0.047  1.0
  O  O39  1  0.909  0.684  0.852  1.0
[/CIF]
.
The structure described by BaSiO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent 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(2), two equivalent Ba(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_BaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.929
_cell_length_c   14.354
_cell_angle_alpha   62.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.331
_cell_formula_units_Z   8
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  0.898  0.789  0.625  1.0
  Ba  Ba1  1  0.593  0.258  0.165  1.0
  Ba  Ba2  1  0.398  0.211  0.875  1.0
  Ba  Ba3  1  0.093  0.742  0.335  1.0
  Ba  Ba4  1  0.907  0.258  0.665  1.0
  Ba  Ba5  1  0.602  0.789  0.125  1.0
  Ba  Ba6  1  0.407  0.742  0.835  1.0
  Ba  Ba7  1  0.102  0.211  0.375  1.0
  Si  Si8  1  0.851  0.452  0.887  1.0
  Si  Si9  1  0.087  0.172  0.090  1.0
  Si  Si10  1  0.351  0.548  0.613  1.0
  Si  Si11  1  0.587  0.828  0.410  1.0
  Si  Si12  1  0.413  0.172  0.590  1.0
  Si  Si13  1  0.649  0.452  0.387  1.0
  Si  Si14  1  0.913  0.828  0.910  1.0
  Si  Si15  1  0.149  0.548  0.113  1.0
  O  O16  1  0.091  0.316  0.148  1.0
  O  O17  1  0.635  0.398  0.953  1.0
  O  O18  1  0.338  0.562  0.721  1.0
  O  O19  1  0.553  0.677  0.539  1.0
  O  O20  1  0.393  0.973  0.355  1.0
  O  O21  1  0.053  0.323  0.961  1.0
  O  O22  1  0.812  0.928  0.401  1.0
  O  O23  1  0.838  0.438  0.779  1.0
  O  O24  1  0.135  0.602  0.547  1.0
  O  O25  1  0.312  0.072  0.099  1.0
  O  O26  1  0.893  0.027  0.145  1.0
  O  O27  1  0.409  0.316  0.648  1.0
  O  O28  1  0.591  0.684  0.352  1.0
  O  O29  1  0.107  0.973  0.855  1.0
  O  O30  1  0.688  0.928  0.901  1.0
  O  O31  1  0.865  0.398  0.453  1.0
  O  O32  1  0.162  0.562  0.221  1.0
  O  O33  1  0.188  0.072  0.599  1.0
  O  O34  1  0.947  0.677  0.039  1.0
  O  O35  1  0.607  0.027  0.645  1.0
  O  O36  1  0.447  0.323  0.461  1.0
  O  O37  1  0.662  0.438  0.279  1.0
  O  O38  1  0.365  0.602  0.047  1.0
  O  O39  1  0.909  0.684  0.852  1.0
[/CIF]
.