The structure described by SrCa5N4 is pyrite-derived structured and crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SrN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Sr(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Ca(2), and two equivalent Ca(1) atoms to form distorted NSrCa3 tetrahedra that share corners with eight equivalent N(2)SrCa5 octahedra and corners with two equivalent N(1)SrCa3 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. In the second N site, N(2) is bonded to one Sr(1), one Ca(2), and four equivalent Ca(1) atoms to form NSrCa5 octahedra that share corners with two equivalent N(2)SrCa5 octahedra, corners with eight equivalent N(1)SrCa3 tetrahedra, and edges with two equivalent N(2)SrCa5 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. is represented by the CIF card [CIF]
data_SrCa5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   7.699
_cell_length_c   5.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.401
_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  0.750  0.250  0.728  1.0
  Sr  Sr1  1  0.250  0.750  0.272  1.0
  Ca  Ca2  1  0.562  0.501  0.253  1.0
  Ca  Ca3  1  0.938  0.501  0.253  1.0
  Ca  Ca4  1  0.562  0.999  0.253  1.0
  Ca  Ca5  1  0.938  0.999  0.253  1.0
  Ca  Ca6  1  0.438  0.499  0.747  1.0
  Ca  Ca7  1  0.062  0.499  0.747  1.0
  Ca  Ca8  1  0.438  0.001  0.747  1.0
  Ca  Ca9  1  0.062  0.001  0.747  1.0
  Ca  Ca10  1  0.750  0.750  0.742  1.0
  Ca  Ca11  1  0.250  0.250  0.258  1.0
  N  N12  1  0.750  0.995  0.975  1.0
  N  N13  1  0.750  0.505  0.975  1.0
  N  N14  1  0.250  0.005  0.025  1.0
  N  N15  1  0.250  0.495  0.025  1.0
  N  N16  1  0.507  0.750  0.509  1.0
  N  N17  1  0.993  0.750  0.509  1.0
  N  N18  1  0.493  0.250  0.491  1.0
  N  N19  1  0.007  0.250  0.491  1.0
[/CIF]
.
The structure described by SrCa5N4 is pyrite-derived structured and crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form SrN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Sr(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), one Ca(2), and two equivalent Ca(1) atoms to form distorted NSrCa3 tetrahedra that share corners with eight equivalent N(2)SrCa5 octahedra and corners with two equivalent N(1)SrCa3 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. In the second N site, N(2) is bonded to one Sr(1), one Ca(2), and four equivalent Ca(1) atoms to form NSrCa5 octahedra that share corners with two equivalent N(2)SrCa5 octahedra, corners with eight equivalent N(1)SrCa3 tetrahedra, and edges with two equivalent N(2)SrCa5 octahedra. The corner-sharing octahedral tilt angles range from 64-66°. is represented by the CIF card [CIF]
data_SrCa5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   7.699
_cell_length_c   5.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.401
_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  0.750  0.250  0.728  1.0
  Sr  Sr1  1  0.250  0.750  0.272  1.0
  Ca  Ca2  1  0.562  0.501  0.253  1.0
  Ca  Ca3  1  0.938  0.501  0.253  1.0
  Ca  Ca4  1  0.562  0.999  0.253  1.0
  Ca  Ca5  1  0.938  0.999  0.253  1.0
  Ca  Ca6  1  0.438  0.499  0.747  1.0
  Ca  Ca7  1  0.062  0.499  0.747  1.0
  Ca  Ca8  1  0.438  0.001  0.747  1.0
  Ca  Ca9  1  0.062  0.001  0.747  1.0
  Ca  Ca10  1  0.750  0.750  0.742  1.0
  Ca  Ca11  1  0.250  0.250  0.258  1.0
  N  N12  1  0.750  0.995  0.975  1.0
  N  N13  1  0.750  0.505  0.975  1.0
  N  N14  1  0.250  0.005  0.025  1.0
  N  N15  1  0.250  0.495  0.025  1.0
  N  N16  1  0.507  0.750  0.509  1.0
  N  N17  1  0.993  0.750  0.509  1.0
  N  N18  1  0.493  0.250  0.491  1.0
  N  N19  1  0.007  0.250  0.491  1.0
[/CIF]
.