The compound described by LiEr4Zr4O14 crystallizes in the monoclinic P2/m space group. Li(1) is bonded in a distorted linear geometry to two equivalent Er(1) and two equivalent O(2) atoms. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent Li(1), two equivalent O(1), and four equivalent O(2) atoms to form distorted face-sharing ErLi2O6 hexagonal bipyramids. In the second Er site, Er(2) is bonded in a distorted hexagonal planar geometry to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms. In the third Er site, Er(3) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(7) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(2), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Er(1), one Er(3), and two equivalent Zr(1) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(1)Er2Zr2 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with two equivalent O(7)Er3Zr tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), one Er(2), two equivalent Er(1), and one Zr(1) atom. In the third O site, O(3) is bonded to two equivalent Er(2), one Zr(2), and one Zr(3) atom to form OEr2Zr2 tetrahedra that share corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(3)Er2Zr2 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, edges with two equivalent O(5)ErZr3 tetrahedra, and edges with two equivalent O(6)ErZr3 tetrahedra. In the fourth O site, O(4) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with four equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(1)Er2Zr2 tetrahedra,  an edgeedge with one O(3)Er2Zr2 tetrahedra, edges with two equivalent O(5)ErZr3 tetrahedra, and edges with two equivalent O(6)ErZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Er(2), one Zr(1), and two equivalent Zr(2) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(5)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one Er(2), one Zr(1), and two equivalent Zr(3) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(7)Er3Zr tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the seventh O site, O(7) is bonded to one Er(2), two equivalent Er(3), and one Zr(1) atom to form OEr3Zr tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(7)Er3Zr tetrahedra,  an edgeedge with one O(7)Er3Zr tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, and edges with two equivalent O(1)Er2Zr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEr4Zr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.883
_cell_length_b   15.004
_cell_length_c   13.190
_cell_angle_alpha   28.682
_cell_angle_beta   53.923
_cell_angle_gamma   58.824
_symmetry_Int_Tables_number   1
_cell_volume   298.104
_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
  Li  Li0  1  0.500  0.250  0.000  1.0
  Er  Er1  1  0.000  0.250  0.000  1.0
  Er  Er2  1  0.943  0.995  0.534  1.0
  Er  Er3  1  0.000  0.750  0.500  1.0
  Er  Er4  1  0.057  0.505  0.466  1.0
  Zr  Zr5  1  0.014  0.997  0.996  1.0
  Zr  Zr6  1  0.986  0.503  0.004  1.0
  Zr  Zr7  1  0.000  0.250  0.500  1.0
  Zr  Zr8  1  0.000  0.750  0.000  1.0
  O  O9  1  0.235  0.005  0.128  1.0
  O  O10  1  0.208  0.224  0.172  1.0
  O  O11  1  0.237  0.998  0.634  1.0
  O  O12  1  0.271  0.502  0.113  1.0
  O  O13  1  0.275  0.227  0.635  1.0
  O  O14  1  0.275  0.772  0.091  1.0
  O  O15  1  0.725  0.273  0.365  1.0
  O  O16  1  0.729  0.998  0.887  1.0
  O  O17  1  0.763  0.502  0.366  1.0
  O  O18  1  0.792  0.276  0.828  1.0
  O  O19  1  0.764  0.723  0.395  1.0
  O  O20  1  0.236  0.777  0.605  1.0
  O  O21  1  0.765  0.495  0.872  1.0
  O  O22  1  0.725  0.728  0.909  1.0
[/CIF]
.
The compound described by LiEr4Zr4O14 crystallizes in the monoclinic P2/m space group. Li(1) is bonded in a distorted linear geometry to two equivalent Er(1) and two equivalent O(2) atoms. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded to two equivalent Li(1), two equivalent O(1), and four equivalent O(2) atoms to form distorted face-sharing ErLi2O6 hexagonal bipyramids. In the second Er site, Er(2) is bonded in a distorted hexagonal planar geometry to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms. In the third Er site, Er(3) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(7) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to one O(2), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Er(1), one Er(3), and two equivalent Zr(1) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(1)Er2Zr2 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with two equivalent O(7)Er3Zr tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), one Er(2), two equivalent Er(1), and one Zr(1) atom. In the third O site, O(3) is bonded to two equivalent Er(2), one Zr(2), and one Zr(3) atom to form OEr2Zr2 tetrahedra that share corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(3)Er2Zr2 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, edges with two equivalent O(5)ErZr3 tetrahedra, and edges with two equivalent O(6)ErZr3 tetrahedra. In the fourth O site, O(4) is bonded to one Zr(2), one Zr(3), and two equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with four equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(1)Er2Zr2 tetrahedra,  an edgeedge with one O(3)Er2Zr2 tetrahedra, edges with two equivalent O(5)ErZr3 tetrahedra, and edges with two equivalent O(6)ErZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Er(2), one Zr(1), and two equivalent Zr(2) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(7)Er3Zr tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(5)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one Er(2), one Zr(1), and two equivalent Zr(3) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(7)Er3Zr tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the seventh O site, O(7) is bonded to one Er(2), two equivalent Er(3), and one Zr(1) atom to form OEr3Zr tetrahedra that share corners with two equivalent O(1)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(7)Er3Zr tetrahedra,  an edgeedge with one O(7)Er3Zr tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, and edges with two equivalent O(1)Er2Zr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEr4Zr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.883
_cell_length_b   15.004
_cell_length_c   13.190
_cell_angle_alpha   28.682
_cell_angle_beta   53.923
_cell_angle_gamma   58.824
_symmetry_Int_Tables_number   1
_cell_volume   298.104
_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
  Li  Li0  1  0.500  0.250  0.000  1.0
  Er  Er1  1  0.000  0.250  0.000  1.0
  Er  Er2  1  0.943  0.995  0.534  1.0
  Er  Er3  1  0.000  0.750  0.500  1.0
  Er  Er4  1  0.057  0.505  0.466  1.0
  Zr  Zr5  1  0.014  0.997  0.996  1.0
  Zr  Zr6  1  0.986  0.503  0.004  1.0
  Zr  Zr7  1  0.000  0.250  0.500  1.0
  Zr  Zr8  1  0.000  0.750  0.000  1.0
  O  O9  1  0.235  0.005  0.128  1.0
  O  O10  1  0.208  0.224  0.172  1.0
  O  O11  1  0.237  0.998  0.634  1.0
  O  O12  1  0.271  0.502  0.113  1.0
  O  O13  1  0.275  0.227  0.635  1.0
  O  O14  1  0.275  0.772  0.091  1.0
  O  O15  1  0.725  0.273  0.365  1.0
  O  O16  1  0.729  0.998  0.887  1.0
  O  O17  1  0.763  0.502  0.366  1.0
  O  O18  1  0.792  0.276  0.828  1.0
  O  O19  1  0.764  0.723  0.395  1.0
  O  O20  1  0.236  0.777  0.605  1.0
  O  O21  1  0.765  0.495  0.872  1.0
  O  O22  1  0.725  0.728  0.909  1.0
[/CIF]
.