The material described by Y(HCOO)3 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1) and one C(1) atom. is represented by the CIF card [CIF]
data_YH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   6.207
_cell_angle_alpha   115.529
_cell_angle_beta   115.529
_cell_angle_gamma   115.529
_symmetry_Int_Tables_number   1
_cell_volume   127.180
_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
  Y  Y0  1  0.001  0.001  0.001  1.0
  H  H1  1  0.367  0.367  0.851  1.0
  H  H2  1  0.851  0.367  0.367  1.0
  H  H3  1  0.367  0.851  0.367  1.0
  C  C4  1  0.612  0.150  0.612  1.0
  C  C5  1  0.150  0.612  0.612  1.0
  C  C6  1  0.612  0.612  0.150  1.0
  O  O7  1  0.592  0.340  0.592  1.0
  O  O8  1  0.284  0.889  0.889  1.0
  O  O9  1  0.889  0.889  0.284  1.0
  O  O10  1  0.889  0.284  0.889  1.0
  O  O11  1  0.340  0.592  0.592  1.0
  O  O12  1  0.592  0.592  0.340  1.0
[/CIF]
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The material described by Y(HCOO)3 crystallizes in the trigonal R3m space group. Y(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1) and one C(1) atom. is represented by the CIF card [CIF]
data_YH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   6.207
_cell_angle_alpha   115.529
_cell_angle_beta   115.529
_cell_angle_gamma   115.529
_symmetry_Int_Tables_number   1
_cell_volume   127.180
_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
  Y  Y0  1  0.001  0.001  0.001  1.0
  H  H1  1  0.367  0.367  0.851  1.0
  H  H2  1  0.851  0.367  0.367  1.0
  H  H3  1  0.367  0.851  0.367  1.0
  C  C4  1  0.612  0.150  0.612  1.0
  C  C5  1  0.150  0.612  0.612  1.0
  C  C6  1  0.612  0.612  0.150  1.0
  O  O7  1  0.592  0.340  0.592  1.0
  O  O8  1  0.284  0.889  0.889  1.0
  O  O9  1  0.889  0.889  0.284  1.0
  O  O10  1  0.889  0.284  0.889  1.0
  O  O11  1  0.340  0.592  0.592  1.0
  O  O12  1  0.592  0.592  0.340  1.0
[/CIF]
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