The material structure described by Er3YV4O16 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the third V site, V(3) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Er(2), one Y(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Er(2), one Y(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one V(3) atom. is represented by the CIF card [CIF]
data_YEr3V4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   10.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.066
_symmetry_Int_Tables_number   1
_cell_volume   326.229
_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
  Y  Y0  1  0.000  0.000  0.500  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.000  0.500  0.751  1.0
  Er  Er3  1  0.500  0.000  0.249  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.500  0.000  0.752  1.0
  V  V7  1  0.000  0.500  0.248  1.0
  O  O8  1  0.768  0.581  0.593  1.0
  O  O9  1  0.269  0.083  0.093  1.0
  O  O10  1  0.581  0.768  0.407  1.0
  O  O11  1  0.083  0.269  0.907  1.0
  O  O12  1  0.915  0.231  0.341  1.0
  O  O13  1  0.417  0.730  0.844  1.0
  O  O14  1  0.231  0.915  0.659  1.0
  O  O15  1  0.730  0.417  0.156  1.0
  O  O16  1  0.419  0.232  0.407  1.0
  O  O17  1  0.917  0.731  0.907  1.0
  O  O18  1  0.232  0.419  0.593  1.0
  O  O19  1  0.731  0.917  0.093  1.0
  O  O20  1  0.769  0.085  0.659  1.0
  O  O21  1  0.270  0.583  0.156  1.0
  O  O22  1  0.085  0.769  0.341  1.0
  O  O23  1  0.583  0.270  0.844  1.0
[/CIF]
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The material structure described by Er3YV4O16 is Zircon-derived structured and crystallizes in the orthorhombic C222 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the third V site, V(3) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Er(2), one Y(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Er(2), one Y(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one V(3) atom. is represented by the CIF card [CIF]
data_YEr3V4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   10.151
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.066
_symmetry_Int_Tables_number   1
_cell_volume   326.229
_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
  Y  Y0  1  0.000  0.000  0.500  1.0
  Er  Er1  1  0.500  0.500  0.000  1.0
  Er  Er2  1  0.000  0.500  0.751  1.0
  Er  Er3  1  0.500  0.000  0.249  1.0
  V  V4  1  0.500  0.500  0.500  1.0
  V  V5  1  0.000  0.000  0.000  1.0
  V  V6  1  0.500  0.000  0.752  1.0
  V  V7  1  0.000  0.500  0.248  1.0
  O  O8  1  0.768  0.581  0.593  1.0
  O  O9  1  0.269  0.083  0.093  1.0
  O  O10  1  0.581  0.768  0.407  1.0
  O  O11  1  0.083  0.269  0.907  1.0
  O  O12  1  0.915  0.231  0.341  1.0
  O  O13  1  0.417  0.730  0.844  1.0
  O  O14  1  0.231  0.915  0.659  1.0
  O  O15  1  0.730  0.417  0.156  1.0
  O  O16  1  0.419  0.232  0.407  1.0
  O  O17  1  0.917  0.731  0.907  1.0
  O  O18  1  0.232  0.419  0.593  1.0
  O  O19  1  0.731  0.917  0.093  1.0
  O  O20  1  0.769  0.085  0.659  1.0
  O  O21  1  0.270  0.583  0.156  1.0
  O  O22  1  0.085  0.769  0.341  1.0
  O  O23  1  0.583  0.270  0.844  1.0
[/CIF]
.