The material described by CaSnSiO5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 10-coordinate geometry to one Si(1), one O(1), two equivalent O(2), two equivalent 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 in a distorted linear geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. Si(1) is bonded in a 4-coordinate geometry to one Ca(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ca(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 3-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   7.259
_cell_length_b   5.638
_cell_length_c   5.624
_cell_angle_alpha   106.100
_cell_angle_beta   103.709
_cell_angle_gamma   103.909
_symmetry_Int_Tables_number   1
_cell_volume   202.967
_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  0.160  0.754  0.838  1.0
  Ca  Ca1  1  0.840  0.246  0.162  1.0
  Si  Si2  1  0.183  0.251  0.818  1.0
  Si  Si3  1  0.817  0.749  0.182  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.589  0.249  0.409  1.0
  O  O7  1  0.411  0.751  0.591  1.0
  O  O8  1  0.895  0.087  0.758  1.0
  O  O9  1  0.105  0.913  0.242  1.0
  O  O10  1  0.240  0.412  0.106  1.0
  O  O11  1  0.760  0.588  0.894  1.0
  O  O12  1  0.823  0.630  0.399  1.0
  O  O13  1  0.177  0.370  0.601  1.0
  O  O14  1  0.599  0.869  0.176  1.0
  O  O15  1  0.401  0.131  0.824  1.0
[/CIF]
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The material described by CaSnSiO5 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 10-coordinate geometry to one Si(1), one O(1), two equivalent O(2), two equivalent 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 in a distorted linear geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(5) atoms. Si(1) is bonded in a 4-coordinate geometry to one Ca(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ca(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 3-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   7.259
_cell_length_b   5.638
_cell_length_c   5.624
_cell_angle_alpha   106.100
_cell_angle_beta   103.709
_cell_angle_gamma   103.909
_symmetry_Int_Tables_number   1
_cell_volume   202.967
_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  0.160  0.754  0.838  1.0
  Ca  Ca1  1  0.840  0.246  0.162  1.0
  Si  Si2  1  0.183  0.251  0.818  1.0
  Si  Si3  1  0.817  0.749  0.182  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.589  0.249  0.409  1.0
  O  O7  1  0.411  0.751  0.591  1.0
  O  O8  1  0.895  0.087  0.758  1.0
  O  O9  1  0.105  0.913  0.242  1.0
  O  O10  1  0.240  0.412  0.106  1.0
  O  O11  1  0.760  0.588  0.894  1.0
  O  O12  1  0.823  0.630  0.399  1.0
  O  O13  1  0.177  0.370  0.601  1.0
  O  O14  1  0.599  0.869  0.176  1.0
  O  O15  1  0.401  0.131  0.824  1.0
[/CIF]
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