The material described by CaYb3(InGe2)2 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(2), and four equivalent Ge(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In(1) is bonded to two equivalent Ca(1), two equivalent Yb(1), four equivalent Yb(2), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted corner and face-sharing InCa2Yb6Ge4 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), two equivalent In(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Yb(2), two equivalent In(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Yb(1), two equivalent Yb(2), two equivalent In(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaYb3(InGe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   4.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.201
_symmetry_Int_Tables_number   1
_cell_volume   236.955
_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
  Ca  Ca0  1  0.826  0.174  0.000  1.0
  Yb  Yb1  1  0.173  0.827  0.000  1.0
  Yb  Yb2  1  0.672  0.673  0.000  1.0
  Yb  Yb3  1  0.327  0.328  0.000  1.0
  In  In4  1  0.499  1.000  0.500  1.0
  In  In5  1  0.000  0.501  0.500  1.0
  Ge  Ge6  1  0.376  0.624  0.500  1.0
  Ge  Ge7  1  0.623  0.377  0.500  1.0
  Ge  Ge8  1  0.125  0.123  0.500  1.0
  Ge  Ge9  1  0.877  0.875  0.500  1.0
[/CIF]
.
The material described by CaYb3(InGe2)2 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(2), and four equivalent Ge(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(1), and four equivalent Ge(3) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to four equivalent In(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In(1) is bonded to two equivalent Ca(1), two equivalent Yb(1), four equivalent Yb(2), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms to form a mixture of distorted corner and face-sharing InCa2Yb6Ge4 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), two equivalent In(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Yb(2), two equivalent In(1), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Yb(1), two equivalent Yb(2), two equivalent In(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaYb3(InGe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   4.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.201
_symmetry_Int_Tables_number   1
_cell_volume   236.955
_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
  Ca  Ca0  1  0.826  0.174  0.000  1.0
  Yb  Yb1  1  0.173  0.827  0.000  1.0
  Yb  Yb2  1  0.672  0.673  0.000  1.0
  Yb  Yb3  1  0.327  0.328  0.000  1.0
  In  In4  1  0.499  1.000  0.500  1.0
  In  In5  1  0.000  0.501  0.500  1.0
  Ge  Ge6  1  0.376  0.624  0.500  1.0
  Ge  Ge7  1  0.623  0.377  0.500  1.0
  Ge  Ge8  1  0.125  0.123  0.500  1.0
  Ge  Ge9  1  0.877  0.875  0.500  1.0
[/CIF]
.