The compound described by CsTmH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent H(1) atoms to form CsH12 cuboctahedra that share corners with twelve equivalent Cs(1)H12 cuboctahedra, faces with six equivalent Cs(1)H12 cuboctahedra, and faces with eight equivalent Tm(1)H6 octahedra. Tm(1) is bonded to six equivalent H(1) atoms to form TmH6 octahedra that share corners with six equivalent Tm(1)H6 octahedra and faces with eight equivalent Cs(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTmH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   4.452
_cell_length_c   4.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.228
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Tm  Tm1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.000  0.000  1.0
  H  H3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by CsTmH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent H(1) atoms to form CsH12 cuboctahedra that share corners with twelve equivalent Cs(1)H12 cuboctahedra, faces with six equivalent Cs(1)H12 cuboctahedra, and faces with eight equivalent Tm(1)H6 octahedra. Tm(1) is bonded to six equivalent H(1) atoms to form TmH6 octahedra that share corners with six equivalent Tm(1)H6 octahedra and faces with eight equivalent Cs(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Tm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTmH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   4.452
_cell_length_c   4.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.228
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Tm  Tm1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.000  0.000  1.0
  H  H3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.000  0.000  0.500  1.0
[/CIF]
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