The material structure described by BaPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form BaPm12 cuboctahedra that share corners with four equivalent Ba(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, edges with eight equivalent Ba(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Ba4Pm8 cuboctahedra, faces with four equivalent Ba(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Ba4Pm8 cuboctahedra, and faces with eight equivalent Pm(1)Ba4Pm8 cuboctahedra. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Ba(1), four equivalent Pm(1), and four equivalent Pm(2) atoms to form PmBa4Pm8 cuboctahedra that share corners with twelve equivalent Pm(1)Ba4Pm8 cuboctahedra, edges with eight equivalent Ba(1)Pm12 cuboctahedra, edges with eight equivalent Pm(1)Ba4Pm8 cuboctahedra, edges with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, faces with four equivalent Ba(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Ba4Pm8 cuboctahedra, and faces with ten equivalent Pm(1)Ba4Pm8 cuboctahedra. In the second Pm site, Pm(2) is bonded to four equivalent Ba(1) and eight equivalent Pm(1) atoms to form PmBa4Pm8 cuboctahedra that share corners with four equivalent Pm(2)Ba4Pm8 cuboctahedra, corners with eight equivalent Ba(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, edges with sixteen equivalent Pm(1)Ba4Pm8 cuboctahedra, faces with four equivalent Pm(2)Ba4Pm8 cuboctahedra, faces with six equivalent Ba(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Ba4Pm8 cuboctahedra. is represented by the CIF card [CIF]
data_BaPm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.486
_cell_length_c   6.486
_cell_angle_alpha   130.627
_cell_angle_beta   130.627
_cell_angle_gamma   72.406
_symmetry_Int_Tables_number   1
_cell_volume   153.604
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pm  Pm1  1  0.750  0.250  0.500  1.0
  Pm  Pm2  1  0.250  0.750  0.500  1.0
  Pm  Pm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by BaPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form BaPm12 cuboctahedra that share corners with four equivalent Ba(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, edges with eight equivalent Ba(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Ba4Pm8 cuboctahedra, faces with four equivalent Ba(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Ba4Pm8 cuboctahedra, and faces with eight equivalent Pm(1)Ba4Pm8 cuboctahedra. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Ba(1), four equivalent Pm(1), and four equivalent Pm(2) atoms to form PmBa4Pm8 cuboctahedra that share corners with twelve equivalent Pm(1)Ba4Pm8 cuboctahedra, edges with eight equivalent Ba(1)Pm12 cuboctahedra, edges with eight equivalent Pm(1)Ba4Pm8 cuboctahedra, edges with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, faces with four equivalent Ba(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Ba4Pm8 cuboctahedra, and faces with ten equivalent Pm(1)Ba4Pm8 cuboctahedra. In the second Pm site, Pm(2) is bonded to four equivalent Ba(1) and eight equivalent Pm(1) atoms to form PmBa4Pm8 cuboctahedra that share corners with four equivalent Pm(2)Ba4Pm8 cuboctahedra, corners with eight equivalent Ba(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Ba4Pm8 cuboctahedra, edges with sixteen equivalent Pm(1)Ba4Pm8 cuboctahedra, faces with four equivalent Pm(2)Ba4Pm8 cuboctahedra, faces with six equivalent Ba(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Ba4Pm8 cuboctahedra. is represented by the CIF card [CIF]
data_BaPm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.486
_cell_length_c   6.486
_cell_angle_alpha   130.627
_cell_angle_beta   130.627
_cell_angle_gamma   72.406
_symmetry_Int_Tables_number   1
_cell_volume   153.604
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Pm  Pm1  1  0.750  0.250  0.500  1.0
  Pm  Pm2  1  0.250  0.750  0.500  1.0
  Pm  Pm3  1  0.500  0.500  0.000  1.0
[/CIF]
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