The material structure described by Ca11Ga7 crystallizes in the cubic Fm-3m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted octahedral geometry to six equivalent Ga(1) atoms. In the second Ca site, Ca(2) is bonded in a cuboctahedral geometry to twelve equivalent Ca(4) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to three equivalent Ga(1) and three equivalent Ga(2) atoms. In the fourth Ca site, Ca(4) is bonded in a distorted square co-planar geometry to one Ca(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Ca(3), and four equivalent Ca(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ca11Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.342
_cell_length_b   11.342
_cell_length_c   11.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1031.720
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Ca  Ca2  1  0.130  0.130  0.130  1.0
  Ca  Ca3  1  0.870  0.870  0.389  1.0
  Ca  Ca4  1  0.389  0.870  0.870  1.0
  Ca  Ca5  1  0.870  0.389  0.870  1.0
  Ca  Ca6  1  0.611  0.130  0.130  1.0
  Ca  Ca7  1  0.130  0.611  0.130  1.0
  Ca  Ca8  1  0.130  0.130  0.611  1.0
  Ca  Ca9  1  0.870  0.870  0.870  1.0
  Ca  Ca10  1  0.836  0.500  0.500  1.0
  Ca  Ca11  1  0.500  0.500  0.836  1.0
  Ca  Ca12  1  0.836  0.164  0.500  1.0
  Ca  Ca13  1  0.500  0.836  0.164  1.0
  Ca  Ca14  1  0.500  0.164  0.836  1.0
  Ca  Ca15  1  0.500  0.836  0.500  1.0
  Ca  Ca16  1  0.836  0.500  0.164  1.0
  Ca  Ca17  1  0.164  0.836  0.500  1.0
  Ca  Ca18  1  0.500  0.164  0.500  1.0
  Ca  Ca19  1  0.164  0.500  0.836  1.0
  Ca  Ca20  1  0.500  0.500  0.164  1.0
  Ca  Ca21  1  0.164  0.500  0.500  1.0
  Ga  Ga22  1  0.780  0.220  0.220  1.0
  Ga  Ga23  1  0.780  0.780  0.220  1.0
  Ga  Ga24  1  0.220  0.220  0.780  1.0
  Ga  Ga25  1  0.780  0.220  0.780  1.0
  Ga  Ga26  1  0.220  0.780  0.220  1.0
  Ga  Ga27  1  0.220  0.780  0.780  1.0
  Ga  Ga28  1  0.309  0.309  0.309  1.0
  Ga  Ga29  1  0.691  0.691  0.926  1.0
  Ga  Ga30  1  0.926  0.691  0.691  1.0
  Ga  Ga31  1  0.691  0.926  0.691  1.0
  Ga  Ga32  1  0.074  0.309  0.309  1.0
  Ga  Ga33  1  0.309  0.074  0.309  1.0
  Ga  Ga34  1  0.309  0.309  0.074  1.0
  Ga  Ga35  1  0.691  0.691  0.691  1.0
[/CIF]
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The material structure described by Ca11Ga7 crystallizes in the cubic Fm-3m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted octahedral geometry to six equivalent Ga(1) atoms. In the second Ca site, Ca(2) is bonded in a cuboctahedral geometry to twelve equivalent Ca(4) atoms. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to three equivalent Ga(1) and three equivalent Ga(2) atoms. In the fourth Ca site, Ca(4) is bonded in a distorted square co-planar geometry to one Ca(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Ca(3), and four equivalent Ca(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to three equivalent Ca(3), three equivalent Ca(4), and three equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ca11Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.342
_cell_length_b   11.342
_cell_length_c   11.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1031.720
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Ca  Ca2  1  0.130  0.130  0.130  1.0
  Ca  Ca3  1  0.870  0.870  0.389  1.0
  Ca  Ca4  1  0.389  0.870  0.870  1.0
  Ca  Ca5  1  0.870  0.389  0.870  1.0
  Ca  Ca6  1  0.611  0.130  0.130  1.0
  Ca  Ca7  1  0.130  0.611  0.130  1.0
  Ca  Ca8  1  0.130  0.130  0.611  1.0
  Ca  Ca9  1  0.870  0.870  0.870  1.0
  Ca  Ca10  1  0.836  0.500  0.500  1.0
  Ca  Ca11  1  0.500  0.500  0.836  1.0
  Ca  Ca12  1  0.836  0.164  0.500  1.0
  Ca  Ca13  1  0.500  0.836  0.164  1.0
  Ca  Ca14  1  0.500  0.164  0.836  1.0
  Ca  Ca15  1  0.500  0.836  0.500  1.0
  Ca  Ca16  1  0.836  0.500  0.164  1.0
  Ca  Ca17  1  0.164  0.836  0.500  1.0
  Ca  Ca18  1  0.500  0.164  0.500  1.0
  Ca  Ca19  1  0.164  0.500  0.836  1.0
  Ca  Ca20  1  0.500  0.500  0.164  1.0
  Ca  Ca21  1  0.164  0.500  0.500  1.0
  Ga  Ga22  1  0.780  0.220  0.220  1.0
  Ga  Ga23  1  0.780  0.780  0.220  1.0
  Ga  Ga24  1  0.220  0.220  0.780  1.0
  Ga  Ga25  1  0.780  0.220  0.780  1.0
  Ga  Ga26  1  0.220  0.780  0.220  1.0
  Ga  Ga27  1  0.220  0.780  0.780  1.0
  Ga  Ga28  1  0.309  0.309  0.309  1.0
  Ga  Ga29  1  0.691  0.691  0.926  1.0
  Ga  Ga30  1  0.926  0.691  0.691  1.0
  Ga  Ga31  1  0.691  0.926  0.691  1.0
  Ga  Ga32  1  0.074  0.309  0.309  1.0
  Ga  Ga33  1  0.309  0.074  0.309  1.0
  Ga  Ga34  1  0.309  0.309  0.074  1.0
  Ga  Ga35  1  0.691  0.691  0.691  1.0
[/CIF]
.