The material described by Cs2TmH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent H(2) and five equivalent H(1) atoms. Tm(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form corner-sharing TmH6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(2) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent Tm(1) atoms. In the second H site, H(1) is bonded in a distorted single-bond geometry to five equivalent Cs(1) and one Tm(1) atom. is represented by the CIF card [CIF]
data_Cs2TmH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.648
_cell_length_b   8.648
_cell_length_c   8.648
_cell_angle_alpha   150.468
_cell_angle_beta   150.468
_cell_angle_gamma   42.255
_symmetry_Int_Tables_number   1
_cell_volume   156.733
_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  0.346  0.346  0.000  1.0
  Cs  Cs1  1  0.654  0.654  0.000  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.135  0.135  0.000  1.0
  H  H4  1  0.865  0.865  0.000  1.0
  H  H5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Cs2TmH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent H(2) and five equivalent H(1) atoms. Tm(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form corner-sharing TmH6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(2) is bonded in a linear geometry to four equivalent Cs(1) and two equivalent Tm(1) atoms. In the second H site, H(1) is bonded in a distorted single-bond geometry to five equivalent Cs(1) and one Tm(1) atom. is represented by the CIF card [CIF]
data_Cs2TmH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.648
_cell_length_b   8.648
_cell_length_c   8.648
_cell_angle_alpha   150.468
_cell_angle_beta   150.468
_cell_angle_gamma   42.255
_symmetry_Int_Tables_number   1
_cell_volume   156.733
_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  0.346  0.346  0.000  1.0
  Cs  Cs1  1  0.654  0.654  0.000  1.0
  Tm  Tm2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.135  0.135  0.000  1.0
  H  H4  1  0.865  0.865  0.000  1.0
  H  H5  1  0.500  0.000  0.500  1.0
  H  H6  1  0.000  0.500  0.500  1.0
[/CIF]
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