The compound described by CaSn(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   6.144
_cell_angle_alpha   47.206
_cell_angle_beta   47.206
_cell_angle_gamma   47.206
_symmetry_Int_Tables_number   1
_cell_volume   114.185
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.761  0.761  0.761  1.0
  B  B3  1  0.239  0.239  0.239  1.0
  O  O4  1  0.491  0.730  0.053  1.0
  O  O5  1  0.730  0.053  0.491  1.0
  O  O6  1  0.947  0.509  0.270  1.0
  O  O7  1  0.509  0.270  0.947  1.0
  O  O8  1  0.270  0.947  0.509  1.0
  O  O9  1  0.053  0.491  0.730  1.0
[/CIF]
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The compound described by CaSn(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSn(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   6.144
_cell_angle_alpha   47.206
_cell_angle_beta   47.206
_cell_angle_gamma   47.206
_symmetry_Int_Tables_number   1
_cell_volume   114.185
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.500  0.500  0.500  1.0
  B  B2  1  0.761  0.761  0.761  1.0
  B  B3  1  0.239  0.239  0.239  1.0
  O  O4  1  0.491  0.730  0.053  1.0
  O  O5  1  0.730  0.053  0.491  1.0
  O  O6  1  0.947  0.509  0.270  1.0
  O  O7  1  0.509  0.270  0.947  1.0
  O  O8  1  0.270  0.947  0.509  1.0
  O  O9  1  0.053  0.491  0.730  1.0
[/CIF]
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