The crystal structure described by Ca2AgGa7 crystallizes in the tetragonal P-4m2 space group. Ca(1) is bonded in a 16-coordinate geometry to two equivalent Ag(1), two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Ag(1) is bonded to four equivalent Ca(1), four equivalent Ga(1), and four equivalent Ga(4) atoms to form distorted AgCa4Ga8 cuboctahedra that share corners with four equivalent Ag(1)Ca4Ga8 cuboctahedra, corners with four equivalent Ga(5)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(3)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(5)Ca4Ga8 cuboctahedra, faces with four equivalent Ag(1)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), two equivalent Ag(1), one Ga(2), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Ga(1), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded to four equivalent Ca(1), four equivalent Ga(2), and four equivalent Ga(5) atoms to form distorted GaCa4Ga8 cuboctahedra that share corners with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, corners with four equivalent Ga(3)Ca4Ga8 cuboctahedra, corners with eight equivalent Ag(1)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, faces with four equivalent Ga(3)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Ca4Ga8 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to four equivalent Ca(1), four equivalent Ag(1), and four equivalent Ga(1) atoms to form GaCa4Ga4Ag4 cuboctahedra that share corners with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, corners with four equivalent Ga(3)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(5)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(3)Ca4Ga8 cuboctahedra, faces with four equivalent Ag(1)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra. In the fifth Ga site, Ga(5) is bonded to four equivalent Ca(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaCa4Ga8 cuboctahedra that share corners with four equivalent Ag(1)Ca4Ga8 cuboctahedra, corners with four equivalent Ga(5)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, edges with two equivalent Ag(1)Ca4Ga8 cuboctahedra, faces with four equivalent Ga(3)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Ca4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_Ca2Ga7Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.244
_cell_length_b   4.244
_cell_length_c   10.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.766
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.500  0.250  1.0
  Ga  Ga2  1  0.000  0.500  0.862  1.0
  Ga  Ga3  1  0.500  0.000  0.363  1.0
  Ga  Ga4  1  0.500  0.000  0.138  1.0
  Ga  Ga5  1  0.000  0.500  0.637  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.000  1.0
  Ga  Ga8  1  0.500  0.500  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Ca2AgGa7 crystallizes in the tetragonal P-4m2 space group. Ca(1) is bonded in a 16-coordinate geometry to two equivalent Ag(1), two equivalent Ga(3), two equivalent Ga(4), two equivalent Ga(5), four equivalent Ga(1), and four equivalent Ga(2) atoms. Ag(1) is bonded to four equivalent Ca(1), four equivalent Ga(1), and four equivalent Ga(4) atoms to form distorted AgCa4Ga8 cuboctahedra that share corners with four equivalent Ag(1)Ca4Ga8 cuboctahedra, corners with four equivalent Ga(5)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(3)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(5)Ca4Ga8 cuboctahedra, faces with four equivalent Ag(1)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), two equivalent Ag(1), one Ga(2), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Ga(1), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded to four equivalent Ca(1), four equivalent Ga(2), and four equivalent Ga(5) atoms to form distorted GaCa4Ga8 cuboctahedra that share corners with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, corners with four equivalent Ga(3)Ca4Ga8 cuboctahedra, corners with eight equivalent Ag(1)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, faces with four equivalent Ga(3)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Ca4Ga8 cuboctahedra. In the fourth Ga site, Ga(4) is bonded to four equivalent Ca(1), four equivalent Ag(1), and four equivalent Ga(1) atoms to form GaCa4Ga4Ag4 cuboctahedra that share corners with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, corners with four equivalent Ga(3)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(5)Ca4Ga8 cuboctahedra, edges with two equivalent Ga(3)Ca4Ga8 cuboctahedra, faces with four equivalent Ag(1)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra. In the fifth Ga site, Ga(5) is bonded to four equivalent Ca(1), four equivalent Ga(2), and four equivalent Ga(3) atoms to form distorted GaCa4Ga8 cuboctahedra that share corners with four equivalent Ag(1)Ca4Ga8 cuboctahedra, corners with four equivalent Ga(5)Ca4Ga8 cuboctahedra, corners with eight equivalent Ga(4)Ca4Ga4Ag4 cuboctahedra, edges with two equivalent Ag(1)Ca4Ga8 cuboctahedra, faces with four equivalent Ga(3)Ca4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Ca4Ga8 cuboctahedra. is represented by the CIF file [CIF]
data_Ca2Ga7Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.244
_cell_length_b   4.244
_cell_length_c   10.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.766
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.500  0.250  1.0
  Ga  Ga2  1  0.000  0.500  0.862  1.0
  Ga  Ga3  1  0.500  0.000  0.363  1.0
  Ga  Ga4  1  0.500  0.000  0.138  1.0
  Ga  Ga5  1  0.000  0.500  0.637  1.0
  Ga  Ga6  1  0.000  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.000  0.000  1.0
  Ga  Ga8  1  0.500  0.500  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.000  1.0
[/CIF]
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