The material structure described by CaMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted CaMn4Bi8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Bi8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Bi4 tetrahedra, edges with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Ca(1)Mn4Bi8 cuboctahedra. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Bi(2) atoms to form distorted MnCa4Bi4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Mn(1)Ca4Bi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.551
_cell_length_b   4.538
_cell_length_c   10.952
_cell_angle_alpha   89.977
_cell_angle_beta   90.014
_cell_angle_gamma   89.960
_symmetry_Int_Tables_number   1
_cell_volume   226.181
_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  0.250  0.250  0.261  1.0
  Ca  Ca1  1  0.751  0.750  0.739  1.0
  Mn  Mn2  1  0.250  0.750  0.000  1.0
  Mn  Mn3  1  0.750  0.250  0.000  1.0
  Bi  Bi4  1  0.733  0.250  0.499  1.0
  Bi  Bi5  1  0.268  0.750  0.500  1.0
  Bi  Bi6  1  0.250  0.250  0.844  1.0
  Bi  Bi7  1  0.750  0.750  0.156  1.0
[/CIF]
.
The material structure described by CaMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted CaMn4Bi8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Bi8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Bi4 tetrahedra, edges with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Ca(1)Mn4Bi8 cuboctahedra. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Bi(2) atoms to form distorted MnCa4Bi4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Mn(1)Ca4Bi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.551
_cell_length_b   4.538
_cell_length_c   10.952
_cell_angle_alpha   89.977
_cell_angle_beta   90.014
_cell_angle_gamma   89.960
_symmetry_Int_Tables_number   1
_cell_volume   226.181
_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  0.250  0.250  0.261  1.0
  Ca  Ca1  1  0.751  0.750  0.739  1.0
  Mn  Mn2  1  0.250  0.750  0.000  1.0
  Mn  Mn3  1  0.750  0.250  0.000  1.0
  Bi  Bi4  1  0.733  0.250  0.499  1.0
  Bi  Bi5  1  0.268  0.750  0.500  1.0
  Bi  Bi6  1  0.250  0.250  0.844  1.0
  Bi  Bi7  1  0.750  0.750  0.156  1.0
[/CIF]
.