The crystal structure described by Ca2AlSbO5 crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(5), and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted CaO4 trigonal pyramids that share corners with four equivalent Al(1)O4 tetrahedra and corners with two equivalent Ca(2)O4 trigonal pyramids. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Ca(2)O4 trigonal pyramids. Sb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Al(1) atoms to form distorted OCa2Al2 trigonal pyramids that share corners with two equivalent O(4)Ca2Sb2 tetrahedra and corners with two equivalent O(1)Ca2Al2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Al(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ca(2) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Sb(1) atoms to form OCa2Sb2 tetrahedra that share corners with two equivalent O(4)Ca2Sb2 tetrahedra and corners with two equivalent O(1)Ca2Al2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2AlSbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.504
_cell_length_b   8.504
_cell_length_c   5.535
_cell_angle_alpha   75.027
_cell_angle_beta   75.027
_cell_angle_gamma   41.500
_symmetry_Int_Tables_number   1
_cell_volume   254.892
_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  0.645  0.096  0.862  1.0
  Ca  Ca1  1  0.901  0.331  0.606  1.0
  Ca  Ca2  1  0.331  0.901  0.106  1.0
  Ca  Ca3  1  0.096  0.645  0.362  1.0
  Al  Al4  1  0.310  0.670  0.733  1.0
  Al  Al5  1  0.670  0.310  0.233  1.0
  Sb  Sb6  1  0.491  0.019  0.472  1.0
  Sb  Sb7  1  0.019  0.491  0.972  1.0
  O  O8  1  0.430  0.576  0.411  1.0
  O  O9  1  0.576  0.430  0.911  1.0
  O  O10  1  0.723  0.051  0.324  1.0
  O  O11  1  0.194  0.939  0.777  1.0
  O  O12  1  0.051  0.723  0.824  1.0
  O  O13  1  0.939  0.194  0.277  1.0
  O  O14  1  0.638  0.838  0.817  1.0
  O  O15  1  0.315  0.311  0.636  1.0
  O  O16  1  0.311  0.315  0.136  1.0
  O  O17  1  0.838  0.638  0.317  1.0
[/CIF]
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The crystal structure described by Ca2AlSbO5 crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(5), and three equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form distorted CaO4 trigonal pyramids that share corners with four equivalent Al(1)O4 tetrahedra and corners with two equivalent Ca(2)O4 trigonal pyramids. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Ca(2)O4 trigonal pyramids. Sb(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Al(1) atoms to form distorted OCa2Al2 trigonal pyramids that share corners with two equivalent O(4)Ca2Sb2 tetrahedra and corners with two equivalent O(1)Ca2Al2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Al(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ca(2) and one Al(1) atom. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), and two equivalent Sb(1) atoms to form OCa2Sb2 tetrahedra that share corners with two equivalent O(4)Ca2Sb2 tetrahedra and corners with two equivalent O(1)Ca2Al2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2AlSbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.504
_cell_length_b   8.504
_cell_length_c   5.535
_cell_angle_alpha   75.027
_cell_angle_beta   75.027
_cell_angle_gamma   41.500
_symmetry_Int_Tables_number   1
_cell_volume   254.892
_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  0.645  0.096  0.862  1.0
  Ca  Ca1  1  0.901  0.331  0.606  1.0
  Ca  Ca2  1  0.331  0.901  0.106  1.0
  Ca  Ca3  1  0.096  0.645  0.362  1.0
  Al  Al4  1  0.310  0.670  0.733  1.0
  Al  Al5  1  0.670  0.310  0.233  1.0
  Sb  Sb6  1  0.491  0.019  0.472  1.0
  Sb  Sb7  1  0.019  0.491  0.972  1.0
  O  O8  1  0.430  0.576  0.411  1.0
  O  O9  1  0.576  0.430  0.911  1.0
  O  O10  1  0.723  0.051  0.324  1.0
  O  O11  1  0.194  0.939  0.777  1.0
  O  O12  1  0.051  0.723  0.824  1.0
  O  O13  1  0.939  0.194  0.277  1.0
  O  O14  1  0.638  0.838  0.817  1.0
  O  O15  1  0.315  0.311  0.636  1.0
  O  O16  1  0.311  0.315  0.136  1.0
  O  O17  1  0.838  0.638  0.317  1.0
[/CIF]
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