The material described by CH3Br is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four bromomethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one H(1), two equivalent H(2), and one Br(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_H3CBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   8.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.908
_symmetry_Int_Tables_number   1
_cell_volume   157.448
_cell_formula_units_Z   2
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
  H  H0  1  0.441  0.441  0.863  1.0
  H  H1  1  0.559  0.559  0.363  1.0
  H  H2  1  0.510  0.769  0.999  1.0
  H  H3  1  0.769  0.510  0.999  1.0
  H  H4  1  0.490  0.231  0.499  1.0
  H  H5  1  0.231  0.490  0.499  1.0
  C  C6  1  0.615  0.615  0.925  1.0
  C  C7  1  0.385  0.385  0.425  1.0
  Br  Br8  1  0.864  0.864  0.753  1.0
  Br  Br9  1  0.136  0.136  0.253  1.0
[/CIF]
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The material described by CH3Br is Indium-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four bromomethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one H(1), two equivalent H(2), and one Br(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_H3CBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.471
_cell_length_b   4.471
_cell_length_c   8.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.908
_symmetry_Int_Tables_number   1
_cell_volume   157.448
_cell_formula_units_Z   2
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
  H  H0  1  0.441  0.441  0.863  1.0
  H  H1  1  0.559  0.559  0.363  1.0
  H  H2  1  0.510  0.769  0.999  1.0
  H  H3  1  0.769  0.510  0.999  1.0
  H  H4  1  0.490  0.231  0.499  1.0
  H  H5  1  0.231  0.490  0.499  1.0
  C  C6  1  0.615  0.615  0.925  1.0
  C  C7  1  0.385  0.385  0.425  1.0
  Br  Br8  1  0.864  0.864  0.753  1.0
  Br  Br9  1  0.136  0.136  0.253  1.0
[/CIF]
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