The material described by CaMnSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted CaMn4Sb8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Sb8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Sb4 tetrahedra, edges with eight equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Mn(1)Ca4Sb4 tetrahedra, and faces with four equivalent Ca(1)Mn4Sb8 cuboctahedra. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Sb(2) atoms to form distorted MnCa4Sb4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Mn(1)Ca4Sb4 tetrahedra, and faces with four equivalent Mn(1)Ca4Sb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CaMnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.383
_cell_length_c   10.538
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.172
_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  0.750  0.240  1.0
  Ca  Ca1  1  0.750  0.250  0.760  1.0
  Mn  Mn2  1  0.250  0.250  0.500  1.0
  Mn  Mn3  1  0.750  0.750  0.500  1.0
  Sb  Sb4  1  0.250  0.250  0.001  1.0
  Sb  Sb5  1  0.750  0.750  0.999  1.0
  Sb  Sb6  1  0.250  0.750  0.650  1.0
  Sb  Sb7  1  0.750  0.250  0.350  1.0
[/CIF]
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The material described by CaMnSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Sb(1), and four equivalent Sb(2) atoms to form distorted CaMn4Sb8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Sb8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Sb4 tetrahedra, edges with eight equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Mn(1)Ca4Sb4 tetrahedra, and faces with four equivalent Ca(1)Mn4Sb8 cuboctahedra. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Sb(2) atoms to form distorted MnCa4Sb4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Ca(1)Mn4Sb8 cuboctahedra, edges with four equivalent Mn(1)Ca4Sb4 tetrahedra, and faces with four equivalent Mn(1)Ca4Sb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_CaMnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.377
_cell_length_b   4.383
_cell_length_c   10.538
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   202.172
_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  0.750  0.240  1.0
  Ca  Ca1  1  0.750  0.250  0.760  1.0
  Mn  Mn2  1  0.250  0.250  0.500  1.0
  Mn  Mn3  1  0.750  0.750  0.500  1.0
  Sb  Sb4  1  0.250  0.250  0.001  1.0
  Sb  Sb5  1  0.750  0.750  0.999  1.0
  Sb  Sb6  1  0.250  0.750  0.650  1.0
  Sb  Sb7  1  0.750  0.250  0.350  1.0
[/CIF]
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