The structure described by RbCaCl3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with eight equivalent Ca(1)Cl6 octahedra. Ca(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form CaCl6 octahedra that share corners with six equivalent Ca(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Ca(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_RbCaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   5.430
_cell_length_c   5.429
_cell_angle_alpha   89.992
_cell_angle_beta   89.992
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   160.042
_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
  Rb  Rb0  1  0.003  0.003  0.995  1.0
  Ca  Ca1  1  0.501  0.501  0.487  1.0
  Cl  Cl2  1  0.502  0.001  0.484  1.0
  Cl  Cl3  1  0.499  0.499  0.986  1.0
  Cl  Cl4  1  0.001  0.502  0.484  1.0
[/CIF]
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The structure described by RbCaCl3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. Rb(1) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with eight equivalent Ca(1)Cl6 octahedra. Ca(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form CaCl6 octahedra that share corners with six equivalent Ca(1)Cl6 octahedra and faces with eight equivalent Rb(1)Cl12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Ca(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted linear geometry to four equivalent Rb(1) and two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_RbCaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.430
_cell_length_b   5.430
_cell_length_c   5.429
_cell_angle_alpha   89.992
_cell_angle_beta   89.992
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   160.042
_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
  Rb  Rb0  1  0.003  0.003  0.995  1.0
  Ca  Ca1  1  0.501  0.501  0.487  1.0
  Cl  Cl2  1  0.502  0.001  0.484  1.0
  Cl  Cl3  1  0.499  0.499  0.986  1.0
  Cl  Cl4  1  0.001  0.502  0.484  1.0
[/CIF]
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