The material structure described by Tm4Zr3O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted TmO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Tm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Tm(1)O7 pentagonal bipyramids and edges with two equivalent Tm(1)O7 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Tm(1), one Zr(1), and one Zr(2) atom. In the second O site, O(2) is bonded to one Tm(2), two equivalent Tm(1), and one Zr(1) atom to form distorted OTm3Zr tetrahedra that share  a cornercorner with one O(2)Tm3Zr tetrahedra, corners with two equivalent O(3)Tm2Zr2 tetrahedra, corners with two equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the third O site, O(3) is bonded to two equivalent Tm(2), one Zr(1), and one Zr(2) atom to form distorted OTm2Zr2 tetrahedra that share  a cornercorner with one O(3)Tm2Zr2 tetrahedra, corners with two equivalent O(5)Tm2Zr2 tetrahedra, corners with two equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra, and  an edgeedge with one O(4)Tm3Zr tetrahedra. In the fourth O site, O(4) is bonded to one Tm(1), two equivalent Tm(2), and one Zr(2) atom to form OTm3Zr tetrahedra that share corners with two equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), and two equivalent Zr(2) atoms to form OTm2Zr2 tetrahedra that share corners with two equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the sixth O site, O(6) is bonded to one Tm(2), two equivalent Tm(1), and one Zr(2) atom to form distorted OTm3Zr tetrahedra that share corners with three equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. is represented by the CIF file [CIF]
data_Tm4Zr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.296
_cell_length_c   6.443
_cell_angle_alpha   99.809
_cell_angle_beta   98.873
_cell_angle_gamma   99.450
_symmetry_Int_Tables_number   1
_cell_volume   242.604
_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
  Tm  Tm0  1  0.389  0.699  0.865  1.0
  Tm  Tm1  1  0.694  0.865  0.390  1.0
  Tm  Tm2  1  0.611  0.301  0.135  1.0
  Tm  Tm3  1  0.306  0.135  0.610  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.850  0.395  0.674  1.0
  Zr  Zr6  1  0.150  0.605  0.326  1.0
  O  O7  1  0.033  0.677  0.891  1.0
  O  O8  1  0.684  0.930  0.060  1.0
  O  O9  1  0.920  0.081  0.689  1.0
  O  O10  1  0.967  0.323  0.109  1.0
  O  O11  1  0.316  0.070  0.940  1.0
  O  O12  1  0.080  0.919  0.311  1.0
  O  O13  1  0.584  0.186  0.432  1.0
  O  O14  1  0.174  0.429  0.575  1.0
  O  O15  1  0.416  0.582  0.178  1.0
  O  O16  1  0.416  0.814  0.568  1.0
  O  O17  1  0.826  0.571  0.425  1.0
  O  O18  1  0.584  0.418  0.822  1.0
[/CIF]
.
The material structure described by Tm4Zr3O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted TmO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and edges with two equivalent Tm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Tm site, Tm(2) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Tm(1)O7 pentagonal bipyramids and edges with two equivalent Tm(1)O7 pentagonal bipyramids. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Tm(1), one Zr(1), and one Zr(2) atom. In the second O site, O(2) is bonded to one Tm(2), two equivalent Tm(1), and one Zr(1) atom to form distorted OTm3Zr tetrahedra that share  a cornercorner with one O(2)Tm3Zr tetrahedra, corners with two equivalent O(3)Tm2Zr2 tetrahedra, corners with two equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the third O site, O(3) is bonded to two equivalent Tm(2), one Zr(1), and one Zr(2) atom to form distorted OTm2Zr2 tetrahedra that share  a cornercorner with one O(3)Tm2Zr2 tetrahedra, corners with two equivalent O(5)Tm2Zr2 tetrahedra, corners with two equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra, and  an edgeedge with one O(4)Tm3Zr tetrahedra. In the fourth O site, O(4) is bonded to one Tm(1), two equivalent Tm(2), and one Zr(2) atom to form OTm3Zr tetrahedra that share corners with two equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the fifth O site, O(5) is bonded to one Tm(1), one Tm(2), and two equivalent Zr(2) atoms to form OTm2Zr2 tetrahedra that share corners with two equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra, corners with three equivalent O(6)Tm3Zr tetrahedra,  an edgeedge with one O(3)Tm2Zr2 tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. In the sixth O site, O(6) is bonded to one Tm(2), two equivalent Tm(1), and one Zr(2) atom to form distorted OTm3Zr tetrahedra that share corners with three equivalent O(3)Tm2Zr2 tetrahedra, corners with three equivalent O(5)Tm2Zr2 tetrahedra, corners with three equivalent O(2)Tm3Zr tetrahedra, corners with three equivalent O(4)Tm3Zr tetrahedra,  an edgeedge with one O(5)Tm2Zr2 tetrahedra,  an edgeedge with one O(2)Tm3Zr tetrahedra,  an edgeedge with one O(4)Tm3Zr tetrahedra, and  an edgeedge with one O(6)Tm3Zr tetrahedra. is represented by the CIF file [CIF]
data_Tm4Zr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.264
_cell_length_b   6.296
_cell_length_c   6.443
_cell_angle_alpha   99.809
_cell_angle_beta   98.873
_cell_angle_gamma   99.450
_symmetry_Int_Tables_number   1
_cell_volume   242.604
_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
  Tm  Tm0  1  0.389  0.699  0.865  1.0
  Tm  Tm1  1  0.694  0.865  0.390  1.0
  Tm  Tm2  1  0.611  0.301  0.135  1.0
  Tm  Tm3  1  0.306  0.135  0.610  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.850  0.395  0.674  1.0
  Zr  Zr6  1  0.150  0.605  0.326  1.0
  O  O7  1  0.033  0.677  0.891  1.0
  O  O8  1  0.684  0.930  0.060  1.0
  O  O9  1  0.920  0.081  0.689  1.0
  O  O10  1  0.967  0.323  0.109  1.0
  O  O11  1  0.316  0.070  0.940  1.0
  O  O12  1  0.080  0.919  0.311  1.0
  O  O13  1  0.584  0.186  0.432  1.0
  O  O14  1  0.174  0.429  0.575  1.0
  O  O15  1  0.416  0.582  0.178  1.0
  O  O16  1  0.416  0.814  0.568  1.0
  O  O17  1  0.826  0.571  0.425  1.0
  O  O18  1  0.584  0.418  0.822  1.0
[/CIF]
.