The crystal structure described by TmZr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded to twelve Zr(1,1) atoms to form TmZr12 cuboctahedra that share corners with six equivalent Tm(1)Zr12 cuboctahedra; corners with twelve equivalent Zr(1)Tm4Zr8 cuboctahedra; edges with eighteen Zr(1,1)Tm4Zr8 cuboctahedra; faces with eight equivalent Tm(1)Zr12 cuboctahedra; and faces with twelve Zr(1,1)Tm4Zr8 cuboctahedra. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Tm(1) and eight Zr(1,1) atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent Tm(1)Zr12 cuboctahedra; corners with fourteen Zr(1,1)Tm4Zr8 cuboctahedra; edges with six equivalent Tm(1)Zr12 cuboctahedra; edges with twelve Zr(1,1)Tm4Zr8 cuboctahedra; faces with four equivalent Tm(1)Zr12 cuboctahedra; and faces with sixteen Zr(1,1)Tm4Zr8 cuboctahedra. In the second Zr site, Zr(1) is bonded to four equivalent Tm(1) and eight Zr(1,1) atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent Tm(1)Zr12 cuboctahedra; corners with fourteen Zr(1,1)Tm4Zr8 cuboctahedra; edges with six equivalent Tm(1)Zr12 cuboctahedra; edges with twelve Zr(1,1)Tm4Zr8 cuboctahedra; faces with four equivalent Tm(1)Zr12 cuboctahedra; and faces with sixteen Zr(1,1)Tm4Zr8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmZr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.641
_cell_length_c   5.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   197.974
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Tm  Tm1  1  0.667  0.333  0.250  1.0
  Zr  Zr2  1  0.163  0.326  0.250  1.0
  Zr  Zr3  1  0.674  0.837  0.250  1.0
  Zr  Zr4  1  0.163  0.837  0.250  1.0
  Zr  Zr5  1  0.837  0.674  0.750  1.0
  Zr  Zr6  1  0.326  0.163  0.750  1.0
  Zr  Zr7  1  0.837  0.163  0.750  1.0
[/CIF]
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The crystal structure described by TmZr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tm(1) is bonded to twelve Zr(1,1) atoms to form TmZr12 cuboctahedra that share corners with six equivalent Tm(1)Zr12 cuboctahedra; corners with twelve equivalent Zr(1)Tm4Zr8 cuboctahedra; edges with eighteen Zr(1,1)Tm4Zr8 cuboctahedra; faces with eight equivalent Tm(1)Zr12 cuboctahedra; and faces with twelve Zr(1,1)Tm4Zr8 cuboctahedra. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Tm(1) and eight Zr(1,1) atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent Tm(1)Zr12 cuboctahedra; corners with fourteen Zr(1,1)Tm4Zr8 cuboctahedra; edges with six equivalent Tm(1)Zr12 cuboctahedra; edges with twelve Zr(1,1)Tm4Zr8 cuboctahedra; faces with four equivalent Tm(1)Zr12 cuboctahedra; and faces with sixteen Zr(1,1)Tm4Zr8 cuboctahedra. In the second Zr site, Zr(1) is bonded to four equivalent Tm(1) and eight Zr(1,1) atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent Tm(1)Zr12 cuboctahedra; corners with fourteen Zr(1,1)Tm4Zr8 cuboctahedra; edges with six equivalent Tm(1)Zr12 cuboctahedra; edges with twelve Zr(1,1)Tm4Zr8 cuboctahedra; faces with four equivalent Tm(1)Zr12 cuboctahedra; and faces with sixteen Zr(1,1)Tm4Zr8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmZr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.641
_cell_length_c   5.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   197.974
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  Tm  Tm1  1  0.667  0.333  0.250  1.0
  Zr  Zr2  1  0.163  0.326  0.250  1.0
  Zr  Zr3  1  0.674  0.837  0.250  1.0
  Zr  Zr4  1  0.163  0.837  0.250  1.0
  Zr  Zr5  1  0.837  0.674  0.750  1.0
  Zr  Zr6  1  0.326  0.163  0.750  1.0
  Zr  Zr7  1  0.837  0.163  0.750  1.0
[/CIF]
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