The material structure described by Pm3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Zr(1) atoms to form PmPm8Zr4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Zr4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Zr4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Zr4 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Zr(1) atoms to form PmPm8Zr4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Zr4 cuboctahedra, corners with eight equivalent Zr(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Zr4 cuboctahedra, faces with four equivalent Pm(2)Pm8Zr4 cuboctahedra, faces with six equivalent Zr(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Zr4 cuboctahedra. Zr(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form ZrPm12 cuboctahedra that share corners with four equivalent Zr(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Zr4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pm3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.093
_cell_length_c   6.093
_cell_angle_alpha   131.661
_cell_angle_beta   131.661
_cell_angle_gamma   70.765
_symmetry_Int_Tables_number   1
_cell_volume   123.678
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Pm3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Zr(1) atoms to form PmPm8Zr4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Zr4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Zr4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Zr4 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Zr(1) atoms to form PmPm8Zr4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Zr4 cuboctahedra, corners with eight equivalent Zr(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Zr4 cuboctahedra, faces with four equivalent Pm(2)Pm8Zr4 cuboctahedra, faces with six equivalent Zr(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Zr4 cuboctahedra. Zr(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form ZrPm12 cuboctahedra that share corners with four equivalent Zr(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Zr4 cuboctahedra, faces with four equivalent Zr(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Zr4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pm3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.093
_cell_length_b   6.093
_cell_length_c   6.093
_cell_angle_alpha   131.661
_cell_angle_beta   131.661
_cell_angle_gamma   70.765
_symmetry_Int_Tables_number   1
_cell_volume   123.678
_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
  Pm  Pm0  1  0.750  0.250  0.500  1.0
  Pm  Pm1  1  0.250  0.750  0.500  1.0
  Pm  Pm2  1  0.500  0.500  0.000  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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