The structure described by KCaBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-09-7 atoms inside a CaBr3 framework. In the CaBr3 framework, Ca(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. In the second Br site, Br(2) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_KCaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.716
_cell_angle_alpha   89.898
_cell_angle_beta   89.898
_cell_angle_gamma   89.887
_symmetry_Int_Tables_number   1
_cell_volume   187.132
_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  0.998  0.998  0.000  1.0
  Ca  Ca1  1  0.495  0.495  0.483  1.0
  Br  Br2  1  0.496  0.998  0.485  1.0
  Br  Br3  1  0.508  0.508  0.984  1.0
  Br  Br4  1  0.998  0.496  0.485  1.0
[/CIF]
.
The structure described by KCaBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-09-7 atoms inside a CaBr3 framework. In the CaBr3 framework, Ca(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. In the second Br site, Br(2) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_KCaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.716
_cell_angle_alpha   89.898
_cell_angle_beta   89.898
_cell_angle_gamma   89.887
_symmetry_Int_Tables_number   1
_cell_volume   187.132
_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  0.998  0.998  0.000  1.0
  Ca  Ca1  1  0.495  0.495  0.483  1.0
  Br  Br2  1  0.496  0.998  0.485  1.0
  Br  Br3  1  0.508  0.508  0.984  1.0
  Br  Br4  1  0.998  0.496  0.485  1.0
[/CIF]
.