The material described by CaCo2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 21-coordinate geometry to two equivalent Ca(1), eight equivalent Co(1), three equivalent Ga(1), and eight equivalent Ga(2) atoms. Co(1) is bonded in a 6-coordinate geometry to four equivalent Ca(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Co(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_CaGa3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   75.588
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.659
_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  0.750  0.339  0.661  1.0
  Ca  Ca1  1  0.250  0.661  0.339  1.0
  Ga  Ga2  1  0.750  0.946  0.054  1.0
  Ga  Ga3  1  0.250  0.054  0.946  1.0
  Ga  Ga4  1  0.750  0.525  0.086  1.0
  Ga  Ga5  1  0.250  0.086  0.525  1.0
  Ga  Ga6  1  0.250  0.475  0.914  1.0
  Ga  Ga7  1  0.750  0.914  0.475  1.0
  Co  Co8  1  0.500  0.201  0.201  1.0
  Co  Co9  1  0.000  0.201  0.201  1.0
  Co  Co10  1  0.500  0.799  0.799  1.0
  Co  Co11  1  0.000  0.799  0.799  1.0
[/CIF]
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The material described by CaCo2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 21-coordinate geometry to two equivalent Ca(1), eight equivalent Co(1), three equivalent Ga(1), and eight equivalent Ga(2) atoms. Co(1) is bonded in a 6-coordinate geometry to four equivalent Ca(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Co(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_CaGa3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   75.588
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.659
_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  0.750  0.339  0.661  1.0
  Ca  Ca1  1  0.250  0.661  0.339  1.0
  Ga  Ga2  1  0.750  0.946  0.054  1.0
  Ga  Ga3  1  0.250  0.054  0.946  1.0
  Ga  Ga4  1  0.750  0.525  0.086  1.0
  Ga  Ga5  1  0.250  0.086  0.525  1.0
  Ga  Ga6  1  0.250  0.475  0.914  1.0
  Ga  Ga7  1  0.750  0.914  0.475  1.0
  Co  Co8  1  0.500  0.201  0.201  1.0
  Co  Co9  1  0.000  0.201  0.201  1.0
  Co  Co10  1  0.500  0.799  0.799  1.0
  Co  Co11  1  0.000  0.799  0.799  1.0
[/CIF]
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