The structure described by Zr5Ti5Pb6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(1), and two equivalent Pb(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ti(2), and four equivalent Ti(1) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one Ti(2), and four equivalent Ti(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), and four equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr5Ti5Pb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.657
_cell_length_b   8.544
_cell_length_c   8.329
_cell_angle_alpha   120.851
_cell_angle_beta   90.002
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   345.603
_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  0.750  0.764  0.764  1.0
  Zr  Zr1  1  0.750  1.000  0.236  1.0
  Zr  Zr2  1  0.250  0.750  0.000  1.0
  Zr  Zr3  1  0.250  0.227  0.230  1.0
  Zr  Zr4  1  0.250  0.996  0.770  1.0
  Ti  Ti5  1  0.501  0.334  0.663  1.0
  Ti  Ti6  1  0.501  0.670  0.337  1.0
  Ti  Ti7  1  0.999  0.670  0.337  1.0
  Ti  Ti8  1  0.999  0.334  0.663  1.0
  Ti  Ti9  1  0.750  0.260  1.000  1.0
  Pb  Pb10  1  0.750  0.600  1.000  1.0
  Pb  Pb11  1  0.750  0.396  0.389  1.0
  Pb  Pb12  1  0.750  0.007  0.611  1.0
  Pb  Pb13  1  0.250  0.395  1.000  1.0
  Pb  Pb14  1  0.250  0.597  0.596  1.0
  Pb  Pb15  1  0.250  0.000  0.404  1.0
[/CIF]
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The structure described by Zr5Ti5Pb6 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(1), and two equivalent Pb(4) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(3), two equivalent Pb(2), and two equivalent Pb(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ti(2), and four equivalent Ti(1) atoms. In the second Pb site, Pb(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), one Ti(2), and four equivalent Ti(1) atoms. In the third Pb site, Pb(3) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(3), two equivalent Ti(2), and four equivalent Ti(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), two equivalent Zr(3), and four equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr5Ti5Pb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.657
_cell_length_b   8.544
_cell_length_c   8.329
_cell_angle_alpha   120.851
_cell_angle_beta   90.002
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   345.603
_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  0.750  0.764  0.764  1.0
  Zr  Zr1  1  0.750  1.000  0.236  1.0
  Zr  Zr2  1  0.250  0.750  0.000  1.0
  Zr  Zr3  1  0.250  0.227  0.230  1.0
  Zr  Zr4  1  0.250  0.996  0.770  1.0
  Ti  Ti5  1  0.501  0.334  0.663  1.0
  Ti  Ti6  1  0.501  0.670  0.337  1.0
  Ti  Ti7  1  0.999  0.670  0.337  1.0
  Ti  Ti8  1  0.999  0.334  0.663  1.0
  Ti  Ti9  1  0.750  0.260  1.000  1.0
  Pb  Pb10  1  0.750  0.600  1.000  1.0
  Pb  Pb11  1  0.750  0.396  0.389  1.0
  Pb  Pb12  1  0.750  0.007  0.611  1.0
  Pb  Pb13  1  0.250  0.395  1.000  1.0
  Pb  Pb14  1  0.250  0.597  0.596  1.0
  Pb  Pb15  1  0.250  0.000  0.404  1.0
[/CIF]
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