The compound described by Sr2CaTi6N2O11 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and 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(2), one O(4), one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent N(2), one O(4), one O(8), two equivalent O(1), and two equivalent O(11) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(9), and two equivalent O(2) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, and corners with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 29°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra,  a cornercorner with one O(7)Ti4 tetrahedra, and corners with two equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra, corners with two equivalent O(6)Ti4 tetrahedra, and edges with two equivalent O(7)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one N(1)Ti4 tetrahedra, corners with two equivalent O(7)Ti4 tetrahedra, and edges with two equivalent O(6)Ti4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(6) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one N(1)Ti4 tetrahedra,  a cornercorner with one O(6)Ti4 tetrahedra, and edges with two equivalent O(11)Sr4Ti2 octahedra. is represented by the CIF file [CIF]
data_Sr2CaTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   7.804
_cell_length_c   10.077
_cell_angle_alpha   76.257
_cell_angle_beta   86.441
_cell_angle_gamma   69.477
_symmetry_Int_Tables_number   1
_cell_volume   279.706
_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  0.614  0.948  0.825  1.0
  Sr  Sr1  1  0.464  0.061  0.174  1.0
  Ca  Ca2  1  0.324  0.938  0.514  1.0
  Ti  Ti3  1  0.179  0.719  0.067  1.0
  Ti  Ti4  1  0.145  0.646  0.406  1.0
  Ti  Ti5  1  0.201  0.539  0.747  1.0
  Ti  Ti6  1  0.794  0.467  0.238  1.0
  Ti  Ti7  1  0.865  0.339  0.572  1.0
  Ti  Ti8  1  0.856  0.277  0.934  1.0
  N  N9  1  0.248  0.542  0.249  1.0
  N  N10  1  0.835  0.327  0.104  1.0
  O  O11  1  0.007  0.902  0.335  1.0
  O  O12  1  0.966  0.770  0.627  1.0
  O  O13  1  0.195  0.665  0.897  1.0
  O  O14  1  0.653  0.739  0.097  1.0
  O  O15  1  0.664  0.624  0.434  1.0
  O  O16  1  0.745  0.469  0.749  1.0
  O  O17  1  0.310  0.411  0.573  1.0
  O  O18  1  0.365  0.271  0.891  1.0
  O  O19  1  0.967  0.258  0.407  1.0
  O  O20  1  0.045  0.104  0.680  1.0
  O  O21  1  0.012  0.002  0.999  1.0
[/CIF]
.
The compound described by Sr2CaTi6N2O11 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and 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(2), one O(4), one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent N(2), one O(4), one O(8), two equivalent O(1), and two equivalent O(11) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(5), one O(9), and two equivalent O(2) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, and corners with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 29°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra,  a cornercorner with one O(7)Ti4 tetrahedra, and corners with two equivalent N(1)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Ca(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one O(11)Sr4Ti2 octahedra, corners with two equivalent O(6)Ti4 tetrahedra, and edges with two equivalent O(7)Ti4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 tetrahedra that share  a cornercorner with one N(1)Ti4 tetrahedra, corners with two equivalent O(7)Ti4 tetrahedra, and edges with two equivalent O(6)Ti4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Ti(6) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one N(1)Ti4 tetrahedra,  a cornercorner with one O(6)Ti4 tetrahedra, and edges with two equivalent O(11)Sr4Ti2 octahedra. is represented by the CIF file [CIF]
data_Sr2CaTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   7.804
_cell_length_c   10.077
_cell_angle_alpha   76.257
_cell_angle_beta   86.441
_cell_angle_gamma   69.477
_symmetry_Int_Tables_number   1
_cell_volume   279.706
_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  0.614  0.948  0.825  1.0
  Sr  Sr1  1  0.464  0.061  0.174  1.0
  Ca  Ca2  1  0.324  0.938  0.514  1.0
  Ti  Ti3  1  0.179  0.719  0.067  1.0
  Ti  Ti4  1  0.145  0.646  0.406  1.0
  Ti  Ti5  1  0.201  0.539  0.747  1.0
  Ti  Ti6  1  0.794  0.467  0.238  1.0
  Ti  Ti7  1  0.865  0.339  0.572  1.0
  Ti  Ti8  1  0.856  0.277  0.934  1.0
  N  N9  1  0.248  0.542  0.249  1.0
  N  N10  1  0.835  0.327  0.104  1.0
  O  O11  1  0.007  0.902  0.335  1.0
  O  O12  1  0.966  0.770  0.627  1.0
  O  O13  1  0.195  0.665  0.897  1.0
  O  O14  1  0.653  0.739  0.097  1.0
  O  O15  1  0.664  0.624  0.434  1.0
  O  O16  1  0.745  0.469  0.749  1.0
  O  O17  1  0.310  0.411  0.573  1.0
  O  O18  1  0.365  0.271  0.891  1.0
  O  O19  1  0.967  0.258  0.407  1.0
  O  O20  1  0.045  0.104  0.680  1.0
  O  O21  1  0.012  0.002  0.999  1.0
[/CIF]
.