The crystal structure described by CaSnSiO5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Sn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Sn(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSiSnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.644
_cell_length_c   7.264
_cell_angle_alpha   103.980
_cell_angle_beta   103.761
_cell_angle_gamma   106.057
_symmetry_Int_Tables_number   1
_cell_volume   203.566
_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
  Ca  Ca0  1  0.839  0.163  0.246  1.0
  Ca  Ca1  1  0.161  0.837  0.754  1.0
  Si  Si2  1  0.817  0.181  0.749  1.0
  Si  Si3  1  0.183  0.819  0.251  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.411  0.590  0.751  1.0
  O  O7  1  0.589  0.410  0.249  1.0
  O  O8  1  0.106  0.242  0.913  1.0
  O  O9  1  0.894  0.758  0.087  1.0
  O  O10  1  0.760  0.892  0.589  1.0
  O  O11  1  0.240  0.108  0.411  1.0
  O  O12  1  0.177  0.603  0.371  1.0
  O  O13  1  0.823  0.397  0.629  1.0
  O  O14  1  0.399  0.824  0.130  1.0
  O  O15  1  0.601  0.176  0.870  1.0
[/CIF]
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The crystal structure described by CaSnSiO5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Sn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Sn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Sn(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSiSnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.644
_cell_length_c   7.264
_cell_angle_alpha   103.980
_cell_angle_beta   103.761
_cell_angle_gamma   106.057
_symmetry_Int_Tables_number   1
_cell_volume   203.566
_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
  Ca  Ca0  1  0.839  0.163  0.246  1.0
  Ca  Ca1  1  0.161  0.837  0.754  1.0
  Si  Si2  1  0.817  0.181  0.749  1.0
  Si  Si3  1  0.183  0.819  0.251  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.411  0.590  0.751  1.0
  O  O7  1  0.589  0.410  0.249  1.0
  O  O8  1  0.106  0.242  0.913  1.0
  O  O9  1  0.894  0.758  0.087  1.0
  O  O10  1  0.760  0.892  0.589  1.0
  O  O11  1  0.240  0.108  0.411  1.0
  O  O12  1  0.177  0.603  0.371  1.0
  O  O13  1  0.823  0.397  0.629  1.0
  O  O14  1  0.399  0.824  0.130  1.0
  O  O15  1  0.601  0.176  0.870  1.0
[/CIF]
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