The material structure described by Ca19In8N7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a water-like geometry to four equivalent In(1) and two equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a linear geometry to four equivalent In(1), one N(1), and one N(2) atom. In the third Ca site, Ca(3) is bonded in an octahedral geometry to six equivalent N(1) atoms. In(1) is bonded to three equivalent Ca(2), six equivalent Ca(1), and three equivalent In(1) atoms to form InCa9In3 cuboctahedra that share corners with three equivalent In(1)Ca9In3 cuboctahedra, corners with six equivalent N(1)Ca6 octahedra, edges with three equivalent In(1)Ca9In3 cuboctahedra, faces with six equivalent In(1)Ca9In3 cuboctahedra,  a faceface with one N(2)Ca6 octahedra, and faces with three equivalent N(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(2), one Ca(3), and four equivalent Ca(1) atoms to form NCa6 octahedra that share corners with eight equivalent In(1)Ca9In3 cuboctahedra,  a cornercorner with one N(1)Ca6 octahedra,  a cornercorner with one N(2)Ca6 octahedra, edges with four equivalent N(1)Ca6 octahedra, and faces with four equivalent In(1)Ca9In3 cuboctahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to six equivalent Ca(2) atoms to form NCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra and faces with eight equivalent In(1)Ca9In3 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca19In8N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.397
_cell_length_b   10.397
_cell_length_c   10.397
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   794.808
_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
  Ca  Ca0  1  0.173  0.500  0.827  1.0
  Ca  Ca1  1  0.500  0.827  0.173  1.0
  Ca  Ca2  1  0.827  0.173  0.500  1.0
  Ca  Ca3  1  0.166  0.834  0.166  1.0
  Ca  Ca4  1  0.827  0.500  0.173  1.0
  Ca  Ca5  1  0.173  0.827  0.500  1.0
  Ca  Ca6  1  0.166  0.166  0.834  1.0
  Ca  Ca7  1  0.173  0.500  0.500  1.0
  Ca  Ca8  1  0.834  0.834  0.166  1.0
  Ca  Ca9  1  0.834  0.166  0.834  1.0
  Ca  Ca10  1  0.500  0.827  0.500  1.0
  Ca  Ca11  1  0.500  0.500  0.500  1.0
  Ca  Ca12  1  0.500  0.500  0.173  1.0
  Ca  Ca13  1  0.166  0.834  0.834  1.0
  Ca  Ca14  1  0.500  0.173  0.827  1.0
  Ca  Ca15  1  0.500  0.173  0.500  1.0
  Ca  Ca16  1  0.827  0.500  0.500  1.0
  Ca  Ca17  1  0.834  0.166  0.166  1.0
  Ca  Ca18  1  0.500  0.500  0.827  1.0
  In  In19  1  0.175  0.175  0.474  1.0
  In  In20  1  0.825  0.526  0.825  1.0
  In  In21  1  0.474  0.175  0.175  1.0
  In  In22  1  0.175  0.474  0.175  1.0
  In  In23  1  0.526  0.825  0.825  1.0
  In  In24  1  0.175  0.175  0.175  1.0
  In  In25  1  0.825  0.825  0.825  1.0
  In  In26  1  0.825  0.825  0.526  1.0
  N  N27  1  0.674  0.326  0.674  1.0
  N  N28  1  0.674  0.326  0.326  1.0
  N  N29  1  0.326  0.674  0.674  1.0
  N  N30  1  0.326  0.674  0.326  1.0
  N  N31  1  0.326  0.326  0.674  1.0
  N  N32  1  0.674  0.674  0.326  1.0
  N  N33  1  1.000  1.000  1.000  1.0
[/CIF]
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The material structure described by Ca19In8N7 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a water-like geometry to four equivalent In(1) and two equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a linear geometry to four equivalent In(1), one N(1), and one N(2) atom. In the third Ca site, Ca(3) is bonded in an octahedral geometry to six equivalent N(1) atoms. In(1) is bonded to three equivalent Ca(2), six equivalent Ca(1), and three equivalent In(1) atoms to form InCa9In3 cuboctahedra that share corners with three equivalent In(1)Ca9In3 cuboctahedra, corners with six equivalent N(1)Ca6 octahedra, edges with three equivalent In(1)Ca9In3 cuboctahedra, faces with six equivalent In(1)Ca9In3 cuboctahedra,  a faceface with one N(2)Ca6 octahedra, and faces with three equivalent N(1)Ca6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(2), one Ca(3), and four equivalent Ca(1) atoms to form NCa6 octahedra that share corners with eight equivalent In(1)Ca9In3 cuboctahedra,  a cornercorner with one N(1)Ca6 octahedra,  a cornercorner with one N(2)Ca6 octahedra, edges with four equivalent N(1)Ca6 octahedra, and faces with four equivalent In(1)Ca9In3 cuboctahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded to six equivalent Ca(2) atoms to form NCa6 octahedra that share corners with six equivalent N(1)Ca6 octahedra and faces with eight equivalent In(1)Ca9In3 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca19In8N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.397
_cell_length_b   10.397
_cell_length_c   10.397
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   794.808
_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
  Ca  Ca0  1  0.173  0.500  0.827  1.0
  Ca  Ca1  1  0.500  0.827  0.173  1.0
  Ca  Ca2  1  0.827  0.173  0.500  1.0
  Ca  Ca3  1  0.166  0.834  0.166  1.0
  Ca  Ca4  1  0.827  0.500  0.173  1.0
  Ca  Ca5  1  0.173  0.827  0.500  1.0
  Ca  Ca6  1  0.166  0.166  0.834  1.0
  Ca  Ca7  1  0.173  0.500  0.500  1.0
  Ca  Ca8  1  0.834  0.834  0.166  1.0
  Ca  Ca9  1  0.834  0.166  0.834  1.0
  Ca  Ca10  1  0.500  0.827  0.500  1.0
  Ca  Ca11  1  0.500  0.500  0.500  1.0
  Ca  Ca12  1  0.500  0.500  0.173  1.0
  Ca  Ca13  1  0.166  0.834  0.834  1.0
  Ca  Ca14  1  0.500  0.173  0.827  1.0
  Ca  Ca15  1  0.500  0.173  0.500  1.0
  Ca  Ca16  1  0.827  0.500  0.500  1.0
  Ca  Ca17  1  0.834  0.166  0.166  1.0
  Ca  Ca18  1  0.500  0.500  0.827  1.0
  In  In19  1  0.175  0.175  0.474  1.0
  In  In20  1  0.825  0.526  0.825  1.0
  In  In21  1  0.474  0.175  0.175  1.0
  In  In22  1  0.175  0.474  0.175  1.0
  In  In23  1  0.526  0.825  0.825  1.0
  In  In24  1  0.175  0.175  0.175  1.0
  In  In25  1  0.825  0.825  0.825  1.0
  In  In26  1  0.825  0.825  0.526  1.0
  N  N27  1  0.674  0.326  0.674  1.0
  N  N28  1  0.674  0.326  0.326  1.0
  N  N29  1  0.326  0.674  0.674  1.0
  N  N30  1  0.326  0.674  0.326  1.0
  N  N31  1  0.326  0.326  0.674  1.0
  N  N32  1  0.674  0.674  0.326  1.0
  N  N33  1  1.000  1.000  1.000  1.0
[/CIF]
.