The compound described by Ca2La3Si3O13 crystallizes in the hexagonal P6_3/m space group. Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one La(1), and one Si(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the third O site, O(1) is bonded to two equivalent Ca(1), one La(1), and one Si(1) atom to form distorted edge-sharing OCa2LaSi tetrahedra. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent La(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2La3Si3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.748
_cell_length_b   9.748
_cell_length_c   7.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   587.237
_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  0.333  0.667  0.003  1.0
  Ca  Ca1  1  0.667  0.333  0.997  1.0
  Ca  Ca2  1  0.667  0.333  0.503  1.0
  Ca  Ca3  1  0.333  0.667  0.497  1.0
  La  La4  1  0.760  0.748  0.750  1.0
  La  La5  1  0.240  0.252  0.250  1.0
  La  La6  1  0.988  0.240  0.750  1.0
  La  La7  1  0.012  0.760  0.250  1.0
  La  La8  1  0.252  0.012  0.750  1.0
  La  La9  1  0.748  0.988  0.250  1.0
  Si  Si10  1  0.598  0.970  0.750  1.0
  Si  Si11  1  0.402  0.030  0.250  1.0
  Si  Si12  1  0.372  0.402  0.750  1.0
  Si  Si13  1  0.628  0.598  0.250  1.0
  Si  Si14  1  0.030  0.628  0.750  1.0
  Si  Si15  1  0.970  0.372  0.250  1.0
  O  O16  1  0.403  0.871  0.750  1.0
  O  O17  1  0.597  0.129  0.250  1.0
  O  O18  1  0.468  0.597  0.750  1.0
  O  O19  1  0.532  0.403  0.250  1.0
  O  O20  1  0.129  0.532  0.750  1.0
  O  O21  1  0.871  0.468  0.250  1.0
  O  O22  1  0.661  0.911  0.932  1.0
  O  O23  1  0.339  0.089  0.068  1.0
  O  O24  1  0.250  0.339  0.932  1.0
  O  O25  1  0.339  0.089  0.432  1.0
  O  O26  1  0.750  0.661  0.068  1.0
  O  O27  1  0.661  0.911  0.568  1.0
  O  O28  1  0.089  0.750  0.932  1.0
  O  O29  1  0.750  0.661  0.432  1.0
  O  O30  1  0.911  0.250  0.068  1.0
  O  O31  1  0.250  0.339  0.568  1.0
  O  O32  1  0.911  0.250  0.432  1.0
  O  O33  1  0.089  0.750  0.568  1.0
  O  O34  1  0.838  0.512  0.750  1.0
  O  O35  1  0.162  0.488  0.250  1.0
  O  O36  1  0.674  0.162  0.750  1.0
  O  O37  1  0.326  0.838  0.250  1.0
  O  O38  1  0.488  0.326  0.750  1.0
  O  O39  1  0.512  0.674  0.250  1.0
  O  O40  1  0.000  0.000  0.750  1.0
  O  O41  1  0.000  0.000  0.250  1.0
[/CIF]
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The compound described by Ca2La3Si3O13 crystallizes in the hexagonal P6_3/m space group. Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one La(1), and one Si(1) atom. In the second O site, O(4) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the third O site, O(1) is bonded to two equivalent Ca(1), one La(1), and one Si(1) atom to form distorted edge-sharing OCa2LaSi tetrahedra. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent La(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2La3Si3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.748
_cell_length_b   9.748
_cell_length_c   7.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   587.237
_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  0.333  0.667  0.003  1.0
  Ca  Ca1  1  0.667  0.333  0.997  1.0
  Ca  Ca2  1  0.667  0.333  0.503  1.0
  Ca  Ca3  1  0.333  0.667  0.497  1.0
  La  La4  1  0.760  0.748  0.750  1.0
  La  La5  1  0.240  0.252  0.250  1.0
  La  La6  1  0.988  0.240  0.750  1.0
  La  La7  1  0.012  0.760  0.250  1.0
  La  La8  1  0.252  0.012  0.750  1.0
  La  La9  1  0.748  0.988  0.250  1.0
  Si  Si10  1  0.598  0.970  0.750  1.0
  Si  Si11  1  0.402  0.030  0.250  1.0
  Si  Si12  1  0.372  0.402  0.750  1.0
  Si  Si13  1  0.628  0.598  0.250  1.0
  Si  Si14  1  0.030  0.628  0.750  1.0
  Si  Si15  1  0.970  0.372  0.250  1.0
  O  O16  1  0.403  0.871  0.750  1.0
  O  O17  1  0.597  0.129  0.250  1.0
  O  O18  1  0.468  0.597  0.750  1.0
  O  O19  1  0.532  0.403  0.250  1.0
  O  O20  1  0.129  0.532  0.750  1.0
  O  O21  1  0.871  0.468  0.250  1.0
  O  O22  1  0.661  0.911  0.932  1.0
  O  O23  1  0.339  0.089  0.068  1.0
  O  O24  1  0.250  0.339  0.932  1.0
  O  O25  1  0.339  0.089  0.432  1.0
  O  O26  1  0.750  0.661  0.068  1.0
  O  O27  1  0.661  0.911  0.568  1.0
  O  O28  1  0.089  0.750  0.932  1.0
  O  O29  1  0.750  0.661  0.432  1.0
  O  O30  1  0.911  0.250  0.068  1.0
  O  O31  1  0.250  0.339  0.568  1.0
  O  O32  1  0.911  0.250  0.432  1.0
  O  O33  1  0.089  0.750  0.568  1.0
  O  O34  1  0.838  0.512  0.750  1.0
  O  O35  1  0.162  0.488  0.250  1.0
  O  O36  1  0.674  0.162  0.750  1.0
  O  O37  1  0.326  0.838  0.250  1.0
  O  O38  1  0.488  0.326  0.750  1.0
  O  O39  1  0.512  0.674  0.250  1.0
  O  O40  1  0.000  0.000  0.750  1.0
  O  O41  1  0.000  0.000  0.250  1.0
[/CIF]
.