The crystal structure described by CH3NH3SnBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a SnBr3 framework. In the SnBr3 framework, Sn(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to two equivalent Sn(1) atoms. In the second Br site, Br(2) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnH6CBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.980
_cell_length_b   12.227
_cell_length_c   8.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   844.072
_cell_formula_units_Z   4
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
  Sn  Sn0  1  0.500  0.000  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.510  0.318  0.150  1.0
  H  H5  1  0.490  0.682  0.850  1.0
  H  H6  1  0.990  0.682  0.650  1.0
  H  H7  1  0.010  0.318  0.350  1.0
  H  H8  1  0.490  0.818  0.850  1.0
  H  H9  1  0.510  0.182  0.150  1.0
  H  H10  1  0.010  0.182  0.350  1.0
  H  H11  1  0.990  0.818  0.650  1.0
  H  H12  1  0.339  0.250  0.086  1.0
  H  H13  1  0.661  0.750  0.914  1.0
  H  H14  1  0.161  0.750  0.586  1.0
  H  H15  1  0.839  0.250  0.414  1.0
  H  H16  1  0.494  0.323  0.870  1.0
  H  H17  1  0.506  0.677  0.130  1.0
  H  H18  1  0.006  0.677  0.370  1.0
  H  H19  1  0.994  0.323  0.630  1.0
  H  H20  1  0.506  0.823  0.130  1.0
  H  H21  1  0.494  0.177  0.870  1.0
  H  H22  1  0.994  0.177  0.630  1.0
  H  H23  1  0.006  0.823  0.370  1.0
  H  H24  1  0.676  0.250  0.936  1.0
  H  H25  1  0.324  0.750  0.064  1.0
  H  H26  1  0.824  0.750  0.436  1.0
  H  H27  1  0.176  0.250  0.564  1.0
  C  C28  1  0.539  0.250  0.929  1.0
  C  C29  1  0.461  0.750  0.071  1.0
  C  C30  1  0.961  0.750  0.429  1.0
  C  C31  1  0.039  0.250  0.571  1.0
  Br  Br32  1  0.556  0.250  0.501  1.0
  Br  Br33  1  0.444  0.750  0.499  1.0
  Br  Br34  1  0.944  0.750  0.001  1.0
  Br  Br35  1  0.056  0.250  0.999  1.0
  Br  Br36  1  0.798  0.978  0.708  1.0
  Br  Br37  1  0.202  0.022  0.292  1.0
  Br  Br38  1  0.702  0.022  0.208  1.0
  Br  Br39  1  0.298  0.978  0.792  1.0
  Br  Br40  1  0.202  0.478  0.292  1.0
  Br  Br41  1  0.798  0.522  0.708  1.0
  Br  Br42  1  0.298  0.522  0.792  1.0
  Br  Br43  1  0.702  0.478  0.208  1.0
  N  N44  1  0.469  0.250  0.090  1.0
  N  N45  1  0.531  0.750  0.910  1.0
  N  N46  1  0.031  0.750  0.590  1.0
  N  N47  1  0.969  0.250  0.410  1.0
[/CIF]
.
The crystal structure described by CH3NH3SnBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure consists of four methylammonium molecules inside a SnBr3 framework. In the SnBr3 framework, Sn(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to two equivalent Sn(1) atoms. In the second Br site, Br(2) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnH6CBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.980
_cell_length_b   12.227
_cell_length_c   8.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   844.072
_cell_formula_units_Z   4
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
  Sn  Sn0  1  0.500  0.000  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  Sn  Sn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.510  0.318  0.150  1.0
  H  H5  1  0.490  0.682  0.850  1.0
  H  H6  1  0.990  0.682  0.650  1.0
  H  H7  1  0.010  0.318  0.350  1.0
  H  H8  1  0.490  0.818  0.850  1.0
  H  H9  1  0.510  0.182  0.150  1.0
  H  H10  1  0.010  0.182  0.350  1.0
  H  H11  1  0.990  0.818  0.650  1.0
  H  H12  1  0.339  0.250  0.086  1.0
  H  H13  1  0.661  0.750  0.914  1.0
  H  H14  1  0.161  0.750  0.586  1.0
  H  H15  1  0.839  0.250  0.414  1.0
  H  H16  1  0.494  0.323  0.870  1.0
  H  H17  1  0.506  0.677  0.130  1.0
  H  H18  1  0.006  0.677  0.370  1.0
  H  H19  1  0.994  0.323  0.630  1.0
  H  H20  1  0.506  0.823  0.130  1.0
  H  H21  1  0.494  0.177  0.870  1.0
  H  H22  1  0.994  0.177  0.630  1.0
  H  H23  1  0.006  0.823  0.370  1.0
  H  H24  1  0.676  0.250  0.936  1.0
  H  H25  1  0.324  0.750  0.064  1.0
  H  H26  1  0.824  0.750  0.436  1.0
  H  H27  1  0.176  0.250  0.564  1.0
  C  C28  1  0.539  0.250  0.929  1.0
  C  C29  1  0.461  0.750  0.071  1.0
  C  C30  1  0.961  0.750  0.429  1.0
  C  C31  1  0.039  0.250  0.571  1.0
  Br  Br32  1  0.556  0.250  0.501  1.0
  Br  Br33  1  0.444  0.750  0.499  1.0
  Br  Br34  1  0.944  0.750  0.001  1.0
  Br  Br35  1  0.056  0.250  0.999  1.0
  Br  Br36  1  0.798  0.978  0.708  1.0
  Br  Br37  1  0.202  0.022  0.292  1.0
  Br  Br38  1  0.702  0.022  0.208  1.0
  Br  Br39  1  0.298  0.978  0.792  1.0
  Br  Br40  1  0.202  0.478  0.292  1.0
  Br  Br41  1  0.798  0.522  0.708  1.0
  Br  Br42  1  0.298  0.522  0.792  1.0
  Br  Br43  1  0.702  0.478  0.208  1.0
  N  N44  1  0.469  0.250  0.090  1.0
  N  N45  1  0.531  0.750  0.910  1.0
  N  N46  1  0.031  0.750  0.590  1.0
  N  N47  1  0.969  0.250  0.410  1.0
[/CIF]
.