The crystal structure described by Ca7SnN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 trigonal pyramids that share corners with two equivalent Sn(1)N4 tetrahedra and  an edgeedge with one Ca(1)N4 trigonal pyramid. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Sn(1) is bonded to four equivalent N(1) atoms to form distorted SnN4 tetrahedra that share corners with four equivalent Ca(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), three equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 41-65°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Ca(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca7SnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   9.278
_cell_length_c   9.278
_cell_angle_alpha   79.363
_cell_angle_beta   69.888
_cell_angle_gamma   69.888
_symmetry_Int_Tables_number   1
_cell_volume   482.957
_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  0.284  0.952  0.048  1.0
  Ca  Ca1  1  0.716  0.048  0.952  1.0
  Ca  Ca2  1  0.216  0.452  0.548  1.0
  Ca  Ca3  1  0.784  0.548  0.452  1.0
  Ca  Ca4  1  0.750  0.151  0.596  1.0
  Ca  Ca5  1  0.504  0.596  0.151  1.0
  Ca  Ca6  1  0.750  0.904  0.349  1.0
  Ca  Ca7  1  0.996  0.349  0.904  1.0
  Ca  Ca8  1  0.250  0.849  0.404  1.0
  Ca  Ca9  1  0.496  0.404  0.849  1.0
  Ca  Ca10  1  0.250  0.096  0.651  1.0
  Ca  Ca11  1  0.004  0.651  0.096  1.0
  Ca  Ca12  1  0.250  0.250  0.250  1.0
  Ca  Ca13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.750  0.250  0.250  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.026  0.062  0.291  1.0
  N  N17  1  0.621  0.291  0.062  1.0
  N  N18  1  0.474  0.209  0.438  1.0
  N  N19  1  0.879  0.438  0.209  1.0
  N  N20  1  0.974  0.938  0.709  1.0
  N  N21  1  0.379  0.709  0.938  1.0
  N  N22  1  0.526  0.791  0.562  1.0
  N  N23  1  0.121  0.562  0.791  1.0
  N  N24  1  0.879  0.348  0.652  1.0
  N  N25  1  0.121  0.652  0.348  1.0
  N  N26  1  0.621  0.848  0.152  1.0
  N  N27  1  0.379  0.152  0.848  1.0
[/CIF]
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The crystal structure described by Ca7SnN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 trigonal pyramids that share corners with two equivalent Sn(1)N4 tetrahedra and  an edgeedge with one Ca(1)N4 trigonal pyramid. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Sn(1) is bonded to four equivalent N(1) atoms to form distorted SnN4 tetrahedra that share corners with four equivalent Ca(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), three equivalent Ca(2), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 41-65°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Ca(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca7SnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.381
_cell_length_b   9.278
_cell_length_c   9.278
_cell_angle_alpha   79.363
_cell_angle_beta   69.888
_cell_angle_gamma   69.888
_symmetry_Int_Tables_number   1
_cell_volume   482.957
_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  0.284  0.952  0.048  1.0
  Ca  Ca1  1  0.716  0.048  0.952  1.0
  Ca  Ca2  1  0.216  0.452  0.548  1.0
  Ca  Ca3  1  0.784  0.548  0.452  1.0
  Ca  Ca4  1  0.750  0.151  0.596  1.0
  Ca  Ca5  1  0.504  0.596  0.151  1.0
  Ca  Ca6  1  0.750  0.904  0.349  1.0
  Ca  Ca7  1  0.996  0.349  0.904  1.0
  Ca  Ca8  1  0.250  0.849  0.404  1.0
  Ca  Ca9  1  0.496  0.404  0.849  1.0
  Ca  Ca10  1  0.250  0.096  0.651  1.0
  Ca  Ca11  1  0.004  0.651  0.096  1.0
  Ca  Ca12  1  0.250  0.250  0.250  1.0
  Ca  Ca13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.750  0.250  0.250  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  N  N16  1  0.026  0.062  0.291  1.0
  N  N17  1  0.621  0.291  0.062  1.0
  N  N18  1  0.474  0.209  0.438  1.0
  N  N19  1  0.879  0.438  0.209  1.0
  N  N20  1  0.974  0.938  0.709  1.0
  N  N21  1  0.379  0.709  0.938  1.0
  N  N22  1  0.526  0.791  0.562  1.0
  N  N23  1  0.121  0.562  0.791  1.0
  N  N24  1  0.879  0.348  0.652  1.0
  N  N25  1  0.121  0.652  0.348  1.0
  N  N26  1  0.621  0.848  0.152  1.0
  N  N27  1  0.379  0.152  0.848  1.0
[/CIF]
.