The material structure described by Ca2GaSi crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(1) and four equivalent Si(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to four equivalent Ga(1) and three equivalent Si(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), four equivalent Ca(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2), four equivalent Ca(1), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.944
_cell_length_c   4.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.017
_symmetry_Int_Tables_number   1
_cell_volume   100.262
_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  0.360  0.640  0.500  1.0
  Ca  Ca1  1  0.641  0.359  0.000  1.0
  Ga  Ga2  1  0.067  0.933  0.500  1.0
  Si  Si3  1  0.932  0.068  0.000  1.0
[/CIF]
.
The material structure described by Ca2GaSi crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(1) and four equivalent Si(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to four equivalent Ga(1) and three equivalent Si(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), four equivalent Ca(2), and two equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2), four equivalent Ca(1), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.944
_cell_length_b   5.944
_cell_length_c   4.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.017
_symmetry_Int_Tables_number   1
_cell_volume   100.262
_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  0.360  0.640  0.500  1.0
  Ca  Ca1  1  0.641  0.359  0.000  1.0
  Ga  Ga2  1  0.067  0.933  0.500  1.0
  Si  Si3  1  0.932  0.068  0.000  1.0
[/CIF]
.