The crystal structure described by SrCa2(TeO3)3 crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), one O(5), one O(7), two equivalent O(2), and two equivalent O(9) atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(8) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(9) atom. In the third Te site, Te(3) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ca(1), one Ca(2), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Ca(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(2) and one Te(3) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Ca(1), one Ca(2), and one Te(3) atom to form distorted corner-sharing OSrCa2Te trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Sr(1), one Ca(2), and one Te(1) atom to form OSr2CaTe tetrahedra that share corners with two equivalent O(8)Sr2CaTe tetrahedra and corners with three equivalent O(7)SrCa2Te trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_SrCa2(TeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   8.791
_cell_length_c   11.537
_cell_angle_alpha   70.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.061
_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
  Sr  Sr0  1  0.501  0.998  0.137  1.0
  Sr  Sr1  1  0.001  0.002  0.863  1.0
  Ca  Ca2  1  0.448  0.980  0.616  1.0
  Ca  Ca3  1  0.948  0.020  0.384  1.0
  Ca  Ca4  1  0.992  0.303  0.051  1.0
  Ca  Ca5  1  0.492  0.697  0.949  1.0
  Te  Te6  1  0.998  0.744  0.171  1.0
  Te  Te7  1  0.498  0.256  0.829  1.0
  Te  Te8  1  0.422  0.694  0.477  1.0
  Te  Te9  1  0.922  0.306  0.523  1.0
  Te  Te10  1  0.438  0.333  0.246  1.0
  Te  Te11  1  0.938  0.667  0.754  1.0
  O  O12  1  0.756  0.790  0.053  1.0
  O  O13  1  0.256  0.210  0.947  1.0
  O  O14  1  0.185  0.816  0.516  1.0
  O  O15  1  0.685  0.184  0.484  1.0
  O  O16  1  0.209  0.760  0.793  1.0
  O  O17  1  0.709  0.240  0.207  1.0
  O  O18  1  0.384  0.738  0.307  1.0
  O  O19  1  0.884  0.262  0.693  1.0
  O  O20  1  0.926  0.927  0.215  1.0
  O  O21  1  0.426  0.073  0.785  1.0
  O  O22  1  0.330  0.467  0.089  1.0
  O  O23  1  0.830  0.533  0.911  1.0
  O  O24  1  0.240  0.162  0.245  1.0
  O  O25  1  0.740  0.838  0.755  1.0
  O  O26  1  0.230  0.834  0.051  1.0
  O  O27  1  0.730  0.166  0.949  1.0
  O  O28  1  0.654  0.839  0.487  1.0
  O  O29  1  0.154  0.161  0.513  1.0
[/CIF]
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The crystal structure described by SrCa2(TeO3)3 crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(8) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), one O(5), one O(7), two equivalent O(2), and two equivalent O(9) atoms to form distorted edge-sharing CaO7 pentagonal bipyramids. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(8) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(9) atom. In the third Te site, Te(3) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Te(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ca(1), one Ca(2), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Ca(1), and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(2) and one Te(3) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Ca(1), one Ca(2), and one Te(3) atom to form distorted corner-sharing OSrCa2Te trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Sr(1), one Ca(2), and one Te(1) atom to form OSr2CaTe tetrahedra that share corners with two equivalent O(8)Sr2CaTe tetrahedra and corners with three equivalent O(7)SrCa2Te trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Ca(1) and one Te(2) atom. is represented by the CIF card [CIF]
data_SrCa2(TeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   8.791
_cell_length_c   11.537
_cell_angle_alpha   70.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   553.061
_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
  Sr  Sr0  1  0.501  0.998  0.137  1.0
  Sr  Sr1  1  0.001  0.002  0.863  1.0
  Ca  Ca2  1  0.448  0.980  0.616  1.0
  Ca  Ca3  1  0.948  0.020  0.384  1.0
  Ca  Ca4  1  0.992  0.303  0.051  1.0
  Ca  Ca5  1  0.492  0.697  0.949  1.0
  Te  Te6  1  0.998  0.744  0.171  1.0
  Te  Te7  1  0.498  0.256  0.829  1.0
  Te  Te8  1  0.422  0.694  0.477  1.0
  Te  Te9  1  0.922  0.306  0.523  1.0
  Te  Te10  1  0.438  0.333  0.246  1.0
  Te  Te11  1  0.938  0.667  0.754  1.0
  O  O12  1  0.756  0.790  0.053  1.0
  O  O13  1  0.256  0.210  0.947  1.0
  O  O14  1  0.185  0.816  0.516  1.0
  O  O15  1  0.685  0.184  0.484  1.0
  O  O16  1  0.209  0.760  0.793  1.0
  O  O17  1  0.709  0.240  0.207  1.0
  O  O18  1  0.384  0.738  0.307  1.0
  O  O19  1  0.884  0.262  0.693  1.0
  O  O20  1  0.926  0.927  0.215  1.0
  O  O21  1  0.426  0.073  0.785  1.0
  O  O22  1  0.330  0.467  0.089  1.0
  O  O23  1  0.830  0.533  0.911  1.0
  O  O24  1  0.240  0.162  0.245  1.0
  O  O25  1  0.740  0.838  0.755  1.0
  O  O26  1  0.230  0.834  0.051  1.0
  O  O27  1  0.730  0.166  0.949  1.0
  O  O28  1  0.654  0.839  0.487  1.0
  O  O29  1  0.154  0.161  0.513  1.0
[/CIF]
.