data_KMgCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.01
_cell_angle_alpha   89.48
_cell_angle_beta   89.0
_cell_angle_gamma   89.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCl3
_chemical_formula_sum   'K1 Mg1 Cl3'
_cell_volume   125.28
_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
  K  K0  1  0.98  0.0  0.01  1.0
  Mg  Mg1  1  0.46  0.5  0.44  1.0
  Cl  Cl2  1  0.49  0.02  0.49  1.0
  Cl  Cl3  1  0.97  0.56  0.55  1.0
  Cl  Cl4  1  0.54  0.54  0.98  1.0

data_KMgCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.01
_cell_angle_alpha   89.48
_cell_angle_beta   89.0
_cell_angle_gamma   89.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCl3
_chemical_formula_sum   'K1 Mg1 Cl3'
_cell_volume   125.28
_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
  K  K0  1  0.98  0.0  0.01  1.0
  Mg  Mg1  1  0.46  0.5  0.44  1.0
  Cl  Cl2  1  0.49  0.02  0.49  1.0
  Cl  Cl3  1  0.54  0.54  0.98  1.0
  Cl  Cl4  1  0.97  0.56  0.55  1.0

K Mg Cl Cl Cl
K Mg Cl Cl Cl 0 4 o - - 0 4 o o - 0 4 + - - 0 4 + o - 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 1 + - o 0 1 + o o 1 3 - o o 1 3 o o o 1 2 o o o 1 2 o + o 1 4 o o - 1 4 o o o 3 4 o o o 
KMgCl3 crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to three equivalent Cl(2), three equivalent Cl(3), and four equivalent Cl(1) atoms. There are a spread of K(1)-Cl(2) bond distances ranging from 3.20-3.58 Å. There are a spread of K(1)-Cl(3) bond distances ranging from 3.19-3.62 Å. There are a spread of K(1)-Cl(1) bond distances ranging from 3.45-3.60 Å. Mg(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted corner-sharing MgCl6 octahedra. The corner-sharing octahedral tilt angles range from 14-28°. There is one shorter (2.43 Å) and one longer (2.61 Å) Mg(1)-Cl(1) bond length. There is one shorter (2.49 Å) and one longer (2.66 Å) Mg(1)-Cl(2) bond length. There is one shorter (2.33 Å) and one longer (2.77 Å) Mg(1)-Cl(3) bond length. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to four equivalent K(1) and two equivalent Mg(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Mg(1) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Mg(1) atoms.