The material described by TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1) and three equivalent Zr(1) atoms to form OTbZr3 tetrahedra that share corners with four equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)TbZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with five equivalent O(1)TbZr3 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with sixteen equivalent O(1)TbZr3 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(1)TbZr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbZr4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   6.379
_cell_angle_alpha   99.542
_cell_angle_beta   99.542
_cell_angle_gamma   131.948
_symmetry_Int_Tables_number   1
_cell_volume   176.325
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.898  0.700  0.598  1.0
  Zr  Zr2  1  0.102  0.300  0.402  1.0
  Zr  Zr3  1  0.700  0.102  0.802  1.0
  Zr  Zr4  1  0.300  0.898  0.198  1.0
  O  O5  1  0.034  0.140  0.691  1.0
  O  O6  1  0.550  0.657  0.691  1.0
  O  O7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.450  0.343  0.309  1.0
  O  O9  1  0.750  0.250  0.500  1.0
  O  O10  1  0.343  0.034  0.894  1.0
  O  O11  1  0.860  0.550  0.894  1.0
  O  O12  1  0.966  0.860  0.309  1.0
  O  O13  1  0.140  0.450  0.106  1.0
  O  O14  1  0.657  0.966  0.106  1.0
[/CIF]
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The material described by TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. Tb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1) and three equivalent Zr(1) atoms to form OTbZr3 tetrahedra that share corners with four equivalent O(2)Zr4 tetrahedra, corners with twelve equivalent O(1)TbZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and edges with five equivalent O(1)TbZr3 tetrahedra. In the second O site, O(2) is bonded to four equivalent Zr(1) atoms to form OZr4 tetrahedra that share corners with sixteen equivalent O(1)TbZr3 tetrahedra, edges with two equivalent O(2)Zr4 tetrahedra, and edges with four equivalent O(1)TbZr3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbZr4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   6.379
_cell_angle_alpha   99.542
_cell_angle_beta   99.542
_cell_angle_gamma   131.948
_symmetry_Int_Tables_number   1
_cell_volume   176.325
_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
  Tb  Tb0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.898  0.700  0.598  1.0
  Zr  Zr2  1  0.102  0.300  0.402  1.0
  Zr  Zr3  1  0.700  0.102  0.802  1.0
  Zr  Zr4  1  0.300  0.898  0.198  1.0
  O  O5  1  0.034  0.140  0.691  1.0
  O  O6  1  0.550  0.657  0.691  1.0
  O  O7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.450  0.343  0.309  1.0
  O  O9  1  0.750  0.250  0.500  1.0
  O  O10  1  0.343  0.034  0.894  1.0
  O  O11  1  0.860  0.550  0.894  1.0
  O  O12  1  0.966  0.860  0.309  1.0
  O  O13  1  0.140  0.450  0.106  1.0
  O  O14  1  0.657  0.966  0.106  1.0
[/CIF]
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