The crystal structure described by Sr2CaO12 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(9), two equivalent O(1), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms. Ca(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), two equivalent O(11), and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one O(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one O(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Sr(2), one Ca(1), and one O(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(1), and one O(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one O(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(2), one Ca(1), and one O(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Ca(1), and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sr(2) and one O(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CaO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   6.206
_cell_length_c   8.931
_cell_angle_alpha   104.828
_cell_angle_beta   90.340
_cell_angle_gamma   112.263
_symmetry_Int_Tables_number   1
_cell_volume   239.953
_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  0.735  0.951  0.813  1.0
  Sr  Sr1  1  0.288  0.054  0.188  1.0
  Ca  Ca2  1  0.017  0.519  0.512  1.0
  O  O3  1  0.206  0.892  0.898  1.0
  O  O4  1  0.838  0.156  0.595  1.0
  O  O5  1  0.818  0.117  0.112  1.0
  O  O6  1  0.194  0.859  0.410  1.0
  O  O7  1  0.205  0.890  0.738  1.0
  O  O8  1  0.926  0.341  0.728  1.0
  O  O9  1  0.821  0.118  0.267  1.0
  O  O10  1  0.101  0.668  0.280  1.0
  O  O11  1  0.533  0.567  0.577  1.0
  O  O12  1  0.510  0.499  0.917  1.0
  O  O13  1  0.497  0.441  0.424  1.0
  O  O14  1  0.472  0.440  0.042  1.0
[/CIF]
.
The crystal structure described by Sr2CaO12 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(9), two equivalent O(1), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms. Ca(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), two equivalent O(11), and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one O(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Sr(1), one Ca(1), and one O(6) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Sr(2), one Ca(1), and one O(8) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(1), and one O(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one O(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(2), one Ca(1), and one O(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sr(1) and one O(12) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Ca(1), and one O(9) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sr(2) and one O(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CaO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.872
_cell_length_b   6.206
_cell_length_c   8.931
_cell_angle_alpha   104.828
_cell_angle_beta   90.340
_cell_angle_gamma   112.263
_symmetry_Int_Tables_number   1
_cell_volume   239.953
_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  0.735  0.951  0.813  1.0
  Sr  Sr1  1  0.288  0.054  0.188  1.0
  Ca  Ca2  1  0.017  0.519  0.512  1.0
  O  O3  1  0.206  0.892  0.898  1.0
  O  O4  1  0.838  0.156  0.595  1.0
  O  O5  1  0.818  0.117  0.112  1.0
  O  O6  1  0.194  0.859  0.410  1.0
  O  O7  1  0.205  0.890  0.738  1.0
  O  O8  1  0.926  0.341  0.728  1.0
  O  O9  1  0.821  0.118  0.267  1.0
  O  O10  1  0.101  0.668  0.280  1.0
  O  O11  1  0.533  0.567  0.577  1.0
  O  O12  1  0.510  0.499  0.917  1.0
  O  O13  1  0.497  0.441  0.424  1.0
  O  O14  1  0.472  0.440  0.042  1.0
[/CIF]
.