The crystal structure described by Sc5Zr5Ga6 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(1), and two equivalent Ga(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), two equivalent Zr(1), and two equivalent Zr(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Zr(2), and two equivalent Zr(3) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Zr(2), two equivalent Zr(1), and two equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr5Sc5Ga6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   5.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   330.964
_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
  Zr  Zr0  1  1.000  0.762  0.000  1.0
  Zr  Zr1  1  0.762  1.000  0.000  1.0
  Zr  Zr2  1  0.762  0.762  0.500  1.0
  Zr  Zr3  1  0.999  0.235  0.500  1.0
  Zr  Zr4  1  0.235  0.999  0.500  1.0
  Sc  Sc5  1  0.667  0.333  0.250  1.0
  Sc  Sc6  1  0.333  0.667  0.250  1.0
  Sc  Sc7  1  0.333  0.667  0.750  1.0
  Sc  Sc8  1  0.667  0.333  0.750  1.0
  Sc  Sc9  1  0.239  0.239  0.000  1.0
  Ga  Ga10  1  0.605  0.605  0.000  1.0
  Ga  Ga11  1  0.998  0.397  0.000  1.0
  Ga  Ga12  1  0.397  0.998  0.000  1.0
  Ga  Ga13  1  0.399  0.399  0.500  1.0
  Ga  Ga14  1  0.001  0.602  0.500  1.0
  Ga  Ga15  1  0.602  0.001  0.500  1.0
[/CIF]
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The crystal structure described by Sc5Zr5Ga6 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(1), and two equivalent Ga(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Ga(3), two equivalent Ga(2), and two equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Sc(2), four equivalent Sc(1), two equivalent Zr(1), and two equivalent Zr(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Zr(2), and two equivalent Zr(3) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Zr(2), two equivalent Zr(1), and two equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr5Sc5Ga6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   5.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.698
_symmetry_Int_Tables_number   1
_cell_volume   330.964
_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
  Zr  Zr0  1  1.000  0.762  0.000  1.0
  Zr  Zr1  1  0.762  1.000  0.000  1.0
  Zr  Zr2  1  0.762  0.762  0.500  1.0
  Zr  Zr3  1  0.999  0.235  0.500  1.0
  Zr  Zr4  1  0.235  0.999  0.500  1.0
  Sc  Sc5  1  0.667  0.333  0.250  1.0
  Sc  Sc6  1  0.333  0.667  0.250  1.0
  Sc  Sc7  1  0.333  0.667  0.750  1.0
  Sc  Sc8  1  0.667  0.333  0.750  1.0
  Sc  Sc9  1  0.239  0.239  0.000  1.0
  Ga  Ga10  1  0.605  0.605  0.000  1.0
  Ga  Ga11  1  0.998  0.397  0.000  1.0
  Ga  Ga12  1  0.397  0.998  0.000  1.0
  Ga  Ga13  1  0.399  0.399  0.500  1.0
  Ga  Ga14  1  0.001  0.602  0.500  1.0
  Ga  Ga15  1  0.602  0.001  0.500  1.0
[/CIF]
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