data_Ca2MnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   10.16
_cell_angle_alpha   21.24
_cell_angle_beta   21.24
_cell_angle_gamma   21.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnCl
_chemical_formula_sum   'Ca2 Mn1 Cl1'
_cell_volume   120.78
_cell_formula_units_Z   1
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  0.0  0.0  0.53  1.0
  Ca  Ca1  1  0.0  0.0  0.89  1.0
  Mn  Mn3  1  0.0  0.0  0.3  1.0
  Cl  Cl2  1  0.0  0.0  0.76  1.0

data_Ca2MnCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   3.75
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2MnCl
_chemical_formula_sum   'Ca4 Mn2 Cl2'
_cell_volume   241.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.11  1.0
  Ca  Ca1  2  0.0  0.0  0.47  1.0
  Mn  Mn2  2  0.0  0.0  0.7  1.0
  Cl  Cl3  2  0.0  0.0  0.24  1.0

Ca Ca Mn Cl
Ca Ca Mn Cl 0 2 o o o 0 3 o o o 1 3 o o o 
Ca2MnCl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2MnCl clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a linear geometry to one Mn(1) and one Cl(1) atom. The Ca(1)-Mn(1) bond length is 2.36 Å. The Ca(1)-Cl(1) bond length is 2.27 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Cl(1) atom. The Ca(2)-Cl(1) bond length is 1.40 Å. Mn(1) is bonded in a single-bond geometry to one Ca(1) atom. Cl(1) is bonded in a linear geometry to one Ca(1) and one Ca(2) atom.