The material structure described by Ca5(AuN2)2 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Au(1) is bonded in a distorted linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Ca(1), four equivalent Ca(2), and one Au(1) atom to form a mixture of corner and edge-sharing NCa5Au octahedra. The corner-sharing octahedral tilt angles range from 1-21°. is represented by the CIF file [CIF]
data_Ca5(AuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.017
_cell_length_b   8.017
_cell_length_c   13.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   847.743
_cell_formula_units_Z   4
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  0.750  0.750  0.369  1.0
  Ca  Ca1  1  0.750  0.750  0.869  1.0
  Ca  Ca2  1  0.250  0.250  0.631  1.0
  Ca  Ca3  1  0.250  0.250  0.131  1.0
  Ca  Ca4  1  0.133  0.577  0.415  1.0
  Ca  Ca5  1  0.367  0.577  0.915  1.0
  Ca  Ca6  1  0.133  0.923  0.915  1.0
  Ca  Ca7  1  0.367  0.923  0.415  1.0
  Ca  Ca8  1  0.577  0.133  0.915  1.0
  Ca  Ca9  1  0.923  0.133  0.415  1.0
  Ca  Ca10  1  0.577  0.367  0.415  1.0
  Ca  Ca11  1  0.923  0.367  0.915  1.0
  Ca  Ca12  1  0.867  0.423  0.585  1.0
  Ca  Ca13  1  0.633  0.423  0.085  1.0
  Ca  Ca14  1  0.867  0.077  0.085  1.0
  Ca  Ca15  1  0.633  0.077  0.585  1.0
  Ca  Ca16  1  0.423  0.867  0.085  1.0
  Ca  Ca17  1  0.077  0.867  0.585  1.0
  Ca  Ca18  1  0.423  0.633  0.585  1.0
  Ca  Ca19  1  0.077  0.633  0.085  1.0
  Au  Au20  1  0.092  0.908  0.250  1.0
  Au  Au21  1  0.408  0.908  0.750  1.0
  Au  Au22  1  0.092  0.592  0.750  1.0
  Au  Au23  1  0.408  0.592  0.250  1.0
  Au  Au24  1  0.908  0.092  0.750  1.0
  Au  Au25  1  0.592  0.092  0.250  1.0
  Au  Au26  1  0.908  0.408  0.250  1.0
  Au  Au27  1  0.592  0.408  0.750  1.0
  N  N28  1  0.638  0.050  0.405  1.0
  N  N29  1  0.862  0.050  0.905  1.0
  N  N30  1  0.638  0.450  0.905  1.0
  N  N31  1  0.862  0.450  0.405  1.0
  N  N32  1  0.050  0.638  0.905  1.0
  N  N33  1  0.450  0.638  0.405  1.0
  N  N34  1  0.050  0.862  0.405  1.0
  N  N35  1  0.450  0.862  0.905  1.0
  N  N36  1  0.362  0.950  0.595  1.0
  N  N37  1  0.138  0.950  0.095  1.0
  N  N38  1  0.362  0.550  0.095  1.0
  N  N39  1  0.138  0.550  0.595  1.0
  N  N40  1  0.950  0.362  0.095  1.0
  N  N41  1  0.550  0.362  0.595  1.0
  N  N42  1  0.950  0.138  0.595  1.0
  N  N43  1  0.550  0.138  0.095  1.0
[/CIF]
.
The material structure described by Ca5(AuN2)2 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Au(1) is bonded in a distorted linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Ca(1), four equivalent Ca(2), and one Au(1) atom to form a mixture of corner and edge-sharing NCa5Au octahedra. The corner-sharing octahedral tilt angles range from 1-21°. is represented by the CIF file [CIF]
data_Ca5(AuN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.017
_cell_length_b   8.017
_cell_length_c   13.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   847.743
_cell_formula_units_Z   4
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  0.750  0.750  0.369  1.0
  Ca  Ca1  1  0.750  0.750  0.869  1.0
  Ca  Ca2  1  0.250  0.250  0.631  1.0
  Ca  Ca3  1  0.250  0.250  0.131  1.0
  Ca  Ca4  1  0.133  0.577  0.415  1.0
  Ca  Ca5  1  0.367  0.577  0.915  1.0
  Ca  Ca6  1  0.133  0.923  0.915  1.0
  Ca  Ca7  1  0.367  0.923  0.415  1.0
  Ca  Ca8  1  0.577  0.133  0.915  1.0
  Ca  Ca9  1  0.923  0.133  0.415  1.0
  Ca  Ca10  1  0.577  0.367  0.415  1.0
  Ca  Ca11  1  0.923  0.367  0.915  1.0
  Ca  Ca12  1  0.867  0.423  0.585  1.0
  Ca  Ca13  1  0.633  0.423  0.085  1.0
  Ca  Ca14  1  0.867  0.077  0.085  1.0
  Ca  Ca15  1  0.633  0.077  0.585  1.0
  Ca  Ca16  1  0.423  0.867  0.085  1.0
  Ca  Ca17  1  0.077  0.867  0.585  1.0
  Ca  Ca18  1  0.423  0.633  0.585  1.0
  Ca  Ca19  1  0.077  0.633  0.085  1.0
  Au  Au20  1  0.092  0.908  0.250  1.0
  Au  Au21  1  0.408  0.908  0.750  1.0
  Au  Au22  1  0.092  0.592  0.750  1.0
  Au  Au23  1  0.408  0.592  0.250  1.0
  Au  Au24  1  0.908  0.092  0.750  1.0
  Au  Au25  1  0.592  0.092  0.250  1.0
  Au  Au26  1  0.908  0.408  0.250  1.0
  Au  Au27  1  0.592  0.408  0.750  1.0
  N  N28  1  0.638  0.050  0.405  1.0
  N  N29  1  0.862  0.050  0.905  1.0
  N  N30  1  0.638  0.450  0.905  1.0
  N  N31  1  0.862  0.450  0.405  1.0
  N  N32  1  0.050  0.638  0.905  1.0
  N  N33  1  0.450  0.638  0.405  1.0
  N  N34  1  0.050  0.862  0.405  1.0
  N  N35  1  0.450  0.862  0.905  1.0
  N  N36  1  0.362  0.950  0.595  1.0
  N  N37  1  0.138  0.950  0.095  1.0
  N  N38  1  0.362  0.550  0.095  1.0
  N  N39  1  0.138  0.550  0.595  1.0
  N  N40  1  0.950  0.362  0.095  1.0
  N  N41  1  0.550  0.362  0.595  1.0
  N  N42  1  0.950  0.138  0.595  1.0
  N  N43  1  0.550  0.138  0.095  1.0
[/CIF]
.