The material described by SrCa3La2(SbO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-37°. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra and corners with four equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. In the second Sb site, Sb(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one La(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one La(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one La(2), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one La(1), one La(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(3), one La(2), and one Sb(1) atom to form distorted OSrCaLaSb tetrahedra that share corners with two equivalent O(7)Ca2LaSb tetrahedra and corners with two equivalent O(8)SrCaLaSb tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one La(1), and one Sb(2) atom to form distorted OCa2LaSb tetrahedra that share corners with two equivalent O(7)Ca2LaSb tetrahedra and corners with two equivalent O(8)SrCaLaSb tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one La(1), and one Sb(1) atom to form distorted OCa2LaSb tetrahedra that share corners with two equivalent O(6)Ca2LaSb tetrahedra and corners with two equivalent O(5)SrCaLaSb tetrahedra. In the eighth O site, O(8) is bonded to one Sr(1), one Ca(2), one La(2), and one Sb(2) atom to form distorted OSrCaLaSb tetrahedra that share corners with two equivalent O(6)Ca2LaSb tetrahedra and corners with two equivalent O(5)SrCaLaSb tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one La(2), and one Sb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one La(1), and one Sb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one La(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(3), one La(1), one La(2), and one Sb(2) atom. is represented by the CIF card [CIF]
data_SrCa3La2(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.948
_cell_length_c   8.300
_cell_angle_alpha   89.896
_cell_angle_beta   90.177
_cell_angle_gamma   89.818
_symmetry_Int_Tables_number   1
_cell_volume   285.462
_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
  Sr  Sr0  1  0.488  0.548  0.251  1.0
  Ca  Ca1  1  0.991  0.953  0.753  1.0
  Ca  Ca2  1  0.001  0.503  0.502  1.0
  Ca  Ca3  1  0.501  0.995  0.998  1.0
  La  La4  1  0.512  0.446  0.750  1.0
  La  La5  1  0.014  0.052  0.250  1.0
  Sb  Sb6  1  0.499  0.999  0.503  1.0
  Sb  Sb7  1  0.000  0.500  0.997  1.0
  O  O8  1  0.168  0.788  0.057  1.0
  O  O9  1  0.670  0.712  0.559  1.0
  O  O10  1  0.822  0.218  0.938  1.0
  O  O11  1  0.318  0.279  0.447  1.0
  O  O12  1  0.611  0.971  0.271  1.0
  O  O13  1  0.111  0.547  0.768  1.0
  O  O14  1  0.390  0.040  0.732  1.0
  O  O15  1  0.909  0.456  0.230  1.0
  O  O16  1  0.215  0.821  0.445  1.0
  O  O17  1  0.715  0.678  0.944  1.0
  O  O18  1  0.782  0.181  0.558  1.0
  O  O19  1  0.281  0.311  0.045  1.0
[/CIF]
.
The material described by SrCa3La2(SbO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form CaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-37°. In the third Ca site, Ca(3) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form CaO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(5), one O(8), and one O(9) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra and corners with four equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. In the second Sb site, Sb(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one La(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one La(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one La(2), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one La(1), one La(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(3), one La(2), and one Sb(1) atom to form distorted OSrCaLaSb tetrahedra that share corners with two equivalent O(7)Ca2LaSb tetrahedra and corners with two equivalent O(8)SrCaLaSb tetrahedra. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one La(1), and one Sb(2) atom to form distorted OCa2LaSb tetrahedra that share corners with two equivalent O(7)Ca2LaSb tetrahedra and corners with two equivalent O(8)SrCaLaSb tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one La(1), and one Sb(1) atom to form distorted OCa2LaSb tetrahedra that share corners with two equivalent O(6)Ca2LaSb tetrahedra and corners with two equivalent O(5)SrCaLaSb tetrahedra. In the eighth O site, O(8) is bonded to one Sr(1), one Ca(2), one La(2), and one Sb(2) atom to form distorted OSrCaLaSb tetrahedra that share corners with two equivalent O(6)Ca2LaSb tetrahedra and corners with two equivalent O(5)SrCaLaSb tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one La(2), and one Sb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one La(1), and one Sb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one La(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(3), one La(1), one La(2), and one Sb(2) atom. is represented by the CIF card [CIF]
data_SrCa3La2(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.782
_cell_length_b   5.948
_cell_length_c   8.300
_cell_angle_alpha   89.896
_cell_angle_beta   90.177
_cell_angle_gamma   89.818
_symmetry_Int_Tables_number   1
_cell_volume   285.462
_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
  Sr  Sr0  1  0.488  0.548  0.251  1.0
  Ca  Ca1  1  0.991  0.953  0.753  1.0
  Ca  Ca2  1  0.001  0.503  0.502  1.0
  Ca  Ca3  1  0.501  0.995  0.998  1.0
  La  La4  1  0.512  0.446  0.750  1.0
  La  La5  1  0.014  0.052  0.250  1.0
  Sb  Sb6  1  0.499  0.999  0.503  1.0
  Sb  Sb7  1  0.000  0.500  0.997  1.0
  O  O8  1  0.168  0.788  0.057  1.0
  O  O9  1  0.670  0.712  0.559  1.0
  O  O10  1  0.822  0.218  0.938  1.0
  O  O11  1  0.318  0.279  0.447  1.0
  O  O12  1  0.611  0.971  0.271  1.0
  O  O13  1  0.111  0.547  0.768  1.0
  O  O14  1  0.390  0.040  0.732  1.0
  O  O15  1  0.909  0.456  0.230  1.0
  O  O16  1  0.215  0.821  0.445  1.0
  O  O17  1  0.715  0.678  0.944  1.0
  O  O18  1  0.782  0.181  0.558  1.0
  O  O19  1  0.281  0.311  0.045  1.0
[/CIF]
.