The material described by Ca3(CdGa2)2 crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cd(2), one Cd(4), two equivalent Cd(1), two equivalent Ga(1), three equivalent Ga(3), and three equivalent Ga(6) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cd(3), two equivalent Cd(2), one Ga(1), two equivalent Ga(2), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Cd(1), two equivalent Cd(3), two equivalent Cd(4), one Ga(2), three equivalent Ga(5), and three equivalent Ga(8) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to three equivalent Cd(1), three equivalent Cd(4), one Ga(5), one Ga(6), two equivalent Ga(3), and two equivalent Ga(8) atoms. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to three equivalent Cd(2), one Ga(3), one Ga(7), two equivalent Ga(4), two equivalent Ga(6), and three equivalent Ga(1) atoms. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to three equivalent Cd(3), one Ga(4), one Ga(8), two equivalent Ga(5), two equivalent Ga(7), and three equivalent Ga(2) atoms. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(1), three equivalent Ca(4), two equivalent Cd(4), one Ga(3), and one Ga(8) atom. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(5), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(6), one Ga(5), one Ga(7), and two equivalent Ga(2) atoms. In the fourth Cd site, Cd(4) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(3), three equivalent Ca(4), two equivalent Cd(1), one Ga(5), and one Ga(8) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(5), two equivalent Cd(2), one Ga(3), and one Ga(6) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(6), two equivalent Cd(3), one Ga(4), and one Ga(7) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(4), three equivalent Ca(1), one Cd(1), one Ga(1), and two equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(5), three equivalent Ca(2), one Cd(2), one Ga(2), and two equivalent Ga(7) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(6), three equivalent Ca(3), one Cd(3), one Cd(4), and two equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(5), three equivalent Ca(1), one Cd(2), one Ga(1), and two equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(6), three equivalent Ca(2), one Cd(3), one Ga(2), and two equivalent Ga(4) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(4), three equivalent Ca(3), one Cd(1), one Cd(4), and two equivalent Ga(5) atoms. is represented by the CIF file [CIF]
data_Ca3(CdGa2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   5.987
_cell_length_c   16.790
_cell_angle_alpha   76.399
_cell_angle_beta   76.399
_cell_angle_gamma   46.244
_symmetry_Int_Tables_number   1
_cell_volume   420.238
_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  0.275  0.275  0.240  1.0
  Ca  Ca1  1  0.611  0.611  0.570  1.0
  Ca  Ca2  1  0.945  0.945  0.900  1.0
  Ca  Ca3  1  0.056  0.056  0.097  1.0
  Ca  Ca4  1  0.390  0.390  0.429  1.0
  Ca  Ca5  1  0.723  0.723  0.762  1.0
  Cd  Cd6  1  0.754  0.754  0.099  1.0
  Cd  Cd7  1  0.092  0.092  0.429  1.0
  Cd  Cd8  1  0.427  0.427  0.760  1.0
  Cd  Cd9  1  0.380  0.380  0.036  1.0
  Ga  Ga10  1  0.711  0.711  0.368  1.0
  Ga  Ga11  1  0.046  0.046  0.700  1.0
  Ga  Ga12  1  0.569  0.569  0.246  1.0
  Ga  Ga13  1  0.906  0.906  0.577  1.0
  Ga  Ga14  1  0.236  0.236  0.906  1.0
  Ga  Ga15  1  0.955  0.955  0.296  1.0
  Ga  Ga16  1  0.290  0.290  0.628  1.0
  Ga  Ga17  1  0.633  0.633  0.958  1.0
[/CIF]
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The material described by Ca3(CdGa2)2 crystallizes in the monoclinic Cm space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Cd(2), one Cd(4), two equivalent Cd(1), two equivalent Ga(1), three equivalent Ga(3), and three equivalent Ga(6) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Cd(3), two equivalent Cd(2), one Ga(1), two equivalent Ga(2), three equivalent Ga(4), and three equivalent Ga(7) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Cd(1), two equivalent Cd(3), two equivalent Cd(4), one Ga(2), three equivalent Ga(5), and three equivalent Ga(8) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to three equivalent Cd(1), three equivalent Cd(4), one Ga(5), one Ga(6), two equivalent Ga(3), and two equivalent Ga(8) atoms. In the fifth Ca site, Ca(5) is bonded in a 12-coordinate geometry to three equivalent Cd(2), one Ga(3), one Ga(7), two equivalent Ga(4), two equivalent Ga(6), and three equivalent Ga(1) atoms. In the sixth Ca site, Ca(6) is bonded in a 12-coordinate geometry to three equivalent Cd(3), one Ga(4), one Ga(8), two equivalent Ga(5), two equivalent Ga(7), and three equivalent Ga(2) atoms. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(1), three equivalent Ca(4), two equivalent Cd(4), one Ga(3), and one Ga(8) atom. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(5), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(6), one Ga(5), one Ga(7), and two equivalent Ga(2) atoms. In the fourth Cd site, Cd(4) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(3), three equivalent Ca(4), two equivalent Cd(1), one Ga(5), and one Ga(8) atom. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(5), two equivalent Cd(2), one Ga(3), and one Ga(6) atom. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(6), two equivalent Cd(3), one Ga(4), and one Ga(7) atom. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(4), three equivalent Ca(1), one Cd(1), one Ga(1), and two equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(5), three equivalent Ca(2), one Cd(2), one Ga(2), and two equivalent Ga(7) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(6), three equivalent Ca(3), one Cd(3), one Cd(4), and two equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(5), three equivalent Ca(1), one Cd(2), one Ga(1), and two equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Ca(5), two equivalent Ca(6), three equivalent Ca(2), one Cd(3), one Ga(2), and two equivalent Ga(4) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to one Ca(6), two equivalent Ca(4), three equivalent Ca(3), one Cd(1), one Cd(4), and two equivalent Ga(5) atoms. is represented by the CIF file [CIF]
data_Ca3(CdGa2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   5.987
_cell_length_c   16.790
_cell_angle_alpha   76.399
_cell_angle_beta   76.399
_cell_angle_gamma   46.244
_symmetry_Int_Tables_number   1
_cell_volume   420.238
_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  0.275  0.275  0.240  1.0
  Ca  Ca1  1  0.611  0.611  0.570  1.0
  Ca  Ca2  1  0.945  0.945  0.900  1.0
  Ca  Ca3  1  0.056  0.056  0.097  1.0
  Ca  Ca4  1  0.390  0.390  0.429  1.0
  Ca  Ca5  1  0.723  0.723  0.762  1.0
  Cd  Cd6  1  0.754  0.754  0.099  1.0
  Cd  Cd7  1  0.092  0.092  0.429  1.0
  Cd  Cd8  1  0.427  0.427  0.760  1.0
  Cd  Cd9  1  0.380  0.380  0.036  1.0
  Ga  Ga10  1  0.711  0.711  0.368  1.0
  Ga  Ga11  1  0.046  0.046  0.700  1.0
  Ga  Ga12  1  0.569  0.569  0.246  1.0
  Ga  Ga13  1  0.906  0.906  0.577  1.0
  Ga  Ga14  1  0.236  0.236  0.906  1.0
  Ga  Ga15  1  0.955  0.955  0.296  1.0
  Ga  Ga16  1  0.290  0.290  0.628  1.0
  Ga  Ga17  1  0.633  0.633  0.958  1.0
[/CIF]
.