The material described by Er5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms. In the third Er site, Er(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of corner and face-sharing ErPb6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(3), and four equivalent Er(2) atoms. In the second Pb site, Pb(1) is bonded in a 8-coordinate geometry to one Er(3), three equivalent Er(1), and four equivalent Er(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Er(2), two equivalent Er(3), and four equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.195
_cell_length_c   15.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1038.733
_cell_formula_units_Z   4
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
  Er  Er0  1  0.378  0.840  0.880  1.0
  Er  Er1  1  0.878  0.660  0.620  1.0
  Er  Er2  1  0.622  0.160  0.380  1.0
  Er  Er3  1  0.122  0.340  0.120  1.0
  Er  Er4  1  0.622  0.160  0.120  1.0
  Er  Er5  1  0.122  0.340  0.380  1.0
  Er  Er6  1  0.378  0.840  0.620  1.0
  Er  Er7  1  0.878  0.660  0.880  1.0
  Er  Er8  1  0.534  0.323  0.900  1.0
  Er  Er9  1  0.034  0.177  0.600  1.0
  Er  Er10  1  0.466  0.677  0.400  1.0
  Er  Er11  1  0.966  0.823  0.100  1.0
  Er  Er12  1  0.466  0.677  0.100  1.0
  Er  Er13  1  0.966  0.823  0.400  1.0
  Er  Er14  1  0.534  0.323  0.600  1.0
  Er  Er15  1  0.034  0.177  0.900  1.0
  Er  Er16  1  0.209  0.504  0.750  1.0
  Er  Er17  1  0.709  0.996  0.750  1.0
  Er  Er18  1  0.791  0.496  0.250  1.0
  Er  Er19  1  0.291  0.004  0.250  1.0
  Pb  Pb20  1  0.281  0.032  0.042  1.0
  Pb  Pb21  1  0.781  0.468  0.458  1.0
  Pb  Pb22  1  0.719  0.968  0.542  1.0
  Pb  Pb23  1  0.219  0.532  0.958  1.0
  Pb  Pb24  1  0.719  0.968  0.958  1.0
  Pb  Pb25  1  0.219  0.532  0.542  1.0
  Pb  Pb26  1  0.281  0.032  0.458  1.0
  Pb  Pb27  1  0.781  0.468  0.042  1.0
  Pb  Pb28  1  0.572  0.627  0.750  1.0
  Pb  Pb29  1  0.072  0.873  0.750  1.0
  Pb  Pb30  1  0.428  0.373  0.250  1.0
  Pb  Pb31  1  0.928  0.127  0.250  1.0
  Pb  Pb32  1  0.346  0.151  0.750  1.0
  Pb  Pb33  1  0.846  0.349  0.750  1.0
  Pb  Pb34  1  0.654  0.849  0.250  1.0
  Pb  Pb35  1  0.154  0.651  0.250  1.0
[/CIF]
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The material described by Er5Pb4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to one Pb(3), two equivalent Pb(2), and three equivalent Pb(1) atoms to form a mixture of distorted edge, corner, and face-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Er site, Er(2) is bonded in a 7-coordinate geometry to one Pb(2), two equivalent Pb(3), and four equivalent Pb(1) atoms. In the third Er site, Er(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms to form a mixture of corner and face-sharing ErPb6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are three inequivalent Pb sites. In the first Pb site, Pb(3) is bonded in a 8-coordinate geometry to two equivalent Er(1), two equivalent Er(3), and four equivalent Er(2) atoms. In the second Pb site, Pb(1) is bonded in a 8-coordinate geometry to one Er(3), three equivalent Er(1), and four equivalent Er(2) atoms. In the third Pb site, Pb(2) is bonded in a 8-coordinate geometry to two equivalent Er(2), two equivalent Er(3), and four equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.195
_cell_length_c   15.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1038.733
_cell_formula_units_Z   4
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
  Er  Er0  1  0.378  0.840  0.880  1.0
  Er  Er1  1  0.878  0.660  0.620  1.0
  Er  Er2  1  0.622  0.160  0.380  1.0
  Er  Er3  1  0.122  0.340  0.120  1.0
  Er  Er4  1  0.622  0.160  0.120  1.0
  Er  Er5  1  0.122  0.340  0.380  1.0
  Er  Er6  1  0.378  0.840  0.620  1.0
  Er  Er7  1  0.878  0.660  0.880  1.0
  Er  Er8  1  0.534  0.323  0.900  1.0
  Er  Er9  1  0.034  0.177  0.600  1.0
  Er  Er10  1  0.466  0.677  0.400  1.0
  Er  Er11  1  0.966  0.823  0.100  1.0
  Er  Er12  1  0.466  0.677  0.100  1.0
  Er  Er13  1  0.966  0.823  0.400  1.0
  Er  Er14  1  0.534  0.323  0.600  1.0
  Er  Er15  1  0.034  0.177  0.900  1.0
  Er  Er16  1  0.209  0.504  0.750  1.0
  Er  Er17  1  0.709  0.996  0.750  1.0
  Er  Er18  1  0.791  0.496  0.250  1.0
  Er  Er19  1  0.291  0.004  0.250  1.0
  Pb  Pb20  1  0.281  0.032  0.042  1.0
  Pb  Pb21  1  0.781  0.468  0.458  1.0
  Pb  Pb22  1  0.719  0.968  0.542  1.0
  Pb  Pb23  1  0.219  0.532  0.958  1.0
  Pb  Pb24  1  0.719  0.968  0.958  1.0
  Pb  Pb25  1  0.219  0.532  0.542  1.0
  Pb  Pb26  1  0.281  0.032  0.458  1.0
  Pb  Pb27  1  0.781  0.468  0.042  1.0
  Pb  Pb28  1  0.572  0.627  0.750  1.0
  Pb  Pb29  1  0.072  0.873  0.750  1.0
  Pb  Pb30  1  0.428  0.373  0.250  1.0
  Pb  Pb31  1  0.928  0.127  0.250  1.0
  Pb  Pb32  1  0.346  0.151  0.750  1.0
  Pb  Pb33  1  0.846  0.349  0.750  1.0
  Pb  Pb34  1  0.654  0.849  0.250  1.0
  Pb  Pb35  1  0.154  0.651  0.250  1.0
[/CIF]
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