The material structure described by Ca(NCS)2 crystallizes in the monoclinic C2/c space group. Ca(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 Ca(1) and one C(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaC2(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   6.009
_cell_length_c   7.801
_cell_angle_alpha   89.392
_cell_angle_beta   89.392
_cell_angle_gamma   64.179
_symmetry_Int_Tables_number   1
_cell_volume   253.497
_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
  Ca  Ca0  1  0.412  0.588  0.250  1.0
  Ca  Ca1  1  0.588  0.412  0.750  1.0
  C  C2  1  0.977  0.257  0.398  1.0
  C  C3  1  0.257  0.977  0.898  1.0
  C  C4  1  0.023  0.743  0.602  1.0
  C  C5  1  0.743  0.023  0.102  1.0
  S  S6  1  0.258  0.139  0.325  1.0
  S  S7  1  0.861  0.742  0.175  1.0
  S  S8  1  0.742  0.861  0.675  1.0
  S  S9  1  0.139  0.258  0.825  1.0
  N  N10  1  0.769  0.349  0.449  1.0
  N  N11  1  0.349  0.769  0.949  1.0
  N  N12  1  0.651  0.231  0.051  1.0
  N  N13  1  0.231  0.651  0.551  1.0
[/CIF]
.
The material structure described by Ca(NCS)2 crystallizes in the monoclinic C2/c space group. Ca(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 Ca(1) and one C(1) atom. S(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(1) atom. is represented by the CIF card [CIF]
data_CaC2(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   6.009
_cell_length_c   7.801
_cell_angle_alpha   89.392
_cell_angle_beta   89.392
_cell_angle_gamma   64.179
_symmetry_Int_Tables_number   1
_cell_volume   253.497
_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
  Ca  Ca0  1  0.412  0.588  0.250  1.0
  Ca  Ca1  1  0.588  0.412  0.750  1.0
  C  C2  1  0.977  0.257  0.398  1.0
  C  C3  1  0.257  0.977  0.898  1.0
  C  C4  1  0.023  0.743  0.602  1.0
  C  C5  1  0.743  0.023  0.102  1.0
  S  S6  1  0.258  0.139  0.325  1.0
  S  S7  1  0.861  0.742  0.175  1.0
  S  S8  1  0.742  0.861  0.675  1.0
  S  S9  1  0.139  0.258  0.825  1.0
  N  N10  1  0.769  0.349  0.449  1.0
  N  N11  1  0.349  0.769  0.949  1.0
  N  N12  1  0.651  0.231  0.051  1.0
  N  N13  1  0.231  0.651  0.551  1.0
[/CIF]
.