The crystal structure described by BaSiC crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to four equivalent Si(1), one C(2), and three equivalent C(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to six equivalent Si(1) and three equivalent C(2) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Si(1), one C(1), and one C(2) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ba(1), two equivalent Si(1), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), two equivalent Si(1), and one C(1) atom. is represented by the CIF file [CIF]
data_BaSiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   8.907
_cell_length_c   11.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.394
_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  0.250  0.975  0.345  1.0
  Ba  Ba1  1  0.250  0.475  0.155  1.0
  Ba  Ba2  1  0.750  0.025  0.655  1.0
  Ba  Ba3  1  0.750  0.525  0.845  1.0
  Ba  Ba4  1  0.250  0.882  0.924  1.0
  Ba  Ba5  1  0.250  0.382  0.576  1.0
  Ba  Ba6  1  0.750  0.118  0.076  1.0
  Ba  Ba7  1  0.750  0.618  0.424  1.0
  Si  Si8  1  0.058  0.215  0.840  1.0
  Si  Si9  1  0.442  0.715  0.660  1.0
  Si  Si10  1  0.558  0.785  0.160  1.0
  Si  Si11  1  0.942  0.285  0.340  1.0
  Si  Si12  1  0.942  0.785  0.160  1.0
  Si  Si13  1  0.558  0.285  0.340  1.0
  Si  Si14  1  0.442  0.215  0.840  1.0
  Si  Si15  1  0.058  0.715  0.660  1.0
  C  C16  1  0.250  0.354  0.934  1.0
  C  C17  1  0.250  0.854  0.566  1.0
  C  C18  1  0.750  0.646  0.066  1.0
  C  C19  1  0.750  0.146  0.434  1.0
  C  C20  1  0.250  0.204  0.983  1.0
  C  C21  1  0.250  0.704  0.517  1.0
  C  C22  1  0.750  0.796  0.017  1.0
  C  C23  1  0.750  0.296  0.483  1.0
[/CIF]
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The crystal structure described by BaSiC crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to four equivalent Si(1), one C(2), and three equivalent C(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to six equivalent Si(1) and three equivalent C(2) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Si(1), one C(1), and one C(2) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a rectangular see-saw-like geometry to three equivalent Ba(1), two equivalent Si(1), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Ba(2), two equivalent Si(1), and one C(1) atom. is represented by the CIF file [CIF]
data_BaSiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   8.907
_cell_length_c   11.419
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   622.394
_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  0.250  0.975  0.345  1.0
  Ba  Ba1  1  0.250  0.475  0.155  1.0
  Ba  Ba2  1  0.750  0.025  0.655  1.0
  Ba  Ba3  1  0.750  0.525  0.845  1.0
  Ba  Ba4  1  0.250  0.882  0.924  1.0
  Ba  Ba5  1  0.250  0.382  0.576  1.0
  Ba  Ba6  1  0.750  0.118  0.076  1.0
  Ba  Ba7  1  0.750  0.618  0.424  1.0
  Si  Si8  1  0.058  0.215  0.840  1.0
  Si  Si9  1  0.442  0.715  0.660  1.0
  Si  Si10  1  0.558  0.785  0.160  1.0
  Si  Si11  1  0.942  0.285  0.340  1.0
  Si  Si12  1  0.942  0.785  0.160  1.0
  Si  Si13  1  0.558  0.285  0.340  1.0
  Si  Si14  1  0.442  0.215  0.840  1.0
  Si  Si15  1  0.058  0.715  0.660  1.0
  C  C16  1  0.250  0.354  0.934  1.0
  C  C17  1  0.250  0.854  0.566  1.0
  C  C18  1  0.750  0.646  0.066  1.0
  C  C19  1  0.750  0.146  0.434  1.0
  C  C20  1  0.250  0.204  0.983  1.0
  C  C21  1  0.250  0.704  0.517  1.0
  C  C22  1  0.750  0.796  0.017  1.0
  C  C23  1  0.750  0.296  0.483  1.0
[/CIF]
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