The material structure described by Ba(SCN)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent S(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one C(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one C(1) atom. is represented by the CIF card [CIF]
data_BaC2(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.375
_cell_length_c   8.743
_cell_angle_alpha   88.304
_cell_angle_beta   88.304
_cell_angle_gamma   64.653
_symmetry_Int_Tables_number   1
_cell_volume   320.913
_cell_formula_units_Z   2
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  0.899  0.101  0.250  1.0
  Ba  Ba1  1  0.101  0.899  0.750  1.0
  C  C2  1  0.519  0.236  0.605  1.0
  C  C3  1  0.236  0.519  0.105  1.0
  C  C4  1  0.480  0.764  0.395  1.0
  C  C5  1  0.764  0.480  0.895  1.0
  S  S6  1  0.745  0.658  0.328  1.0
  S  S7  1  0.342  0.255  0.172  1.0
  S  S8  1  0.255  0.342  0.672  1.0
  S  S9  1  0.658  0.745  0.828  1.0
  N  N10  1  0.714  0.157  0.557  1.0
  N  N11  1  0.157  0.714  0.057  1.0
  N  N12  1  0.843  0.286  0.943  1.0
  N  N13  1  0.286  0.843  0.443  1.0
[/CIF]
.
The material structure described by Ba(SCN)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent S(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one C(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one C(1) atom. is represented by the CIF card [CIF]
data_BaC2(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.375
_cell_length_c   8.743
_cell_angle_alpha   88.304
_cell_angle_beta   88.304
_cell_angle_gamma   64.653
_symmetry_Int_Tables_number   1
_cell_volume   320.913
_cell_formula_units_Z   2
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  0.899  0.101  0.250  1.0
  Ba  Ba1  1  0.101  0.899  0.750  1.0
  C  C2  1  0.519  0.236  0.605  1.0
  C  C3  1  0.236  0.519  0.105  1.0
  C  C4  1  0.480  0.764  0.395  1.0
  C  C5  1  0.764  0.480  0.895  1.0
  S  S6  1  0.745  0.658  0.328  1.0
  S  S7  1  0.342  0.255  0.172  1.0
  S  S8  1  0.255  0.342  0.672  1.0
  S  S9  1  0.658  0.745  0.828  1.0
  N  N10  1  0.714  0.157  0.557  1.0
  N  N11  1  0.157  0.714  0.057  1.0
  N  N12  1  0.843  0.286  0.943  1.0
  N  N13  1  0.286  0.843  0.443  1.0
[/CIF]
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