The structure described by Ca2AuN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted L-shaped geometry to six equivalent Au(1) and two equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. Au(1) is bonded in a 9-coordinate geometry to one Ca(2), six equivalent Ca(1), and two equivalent Au(1) atoms. N(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form a mixture of edge and corner-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF file [CIF]
data_Ca2AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.551
_cell_length_b   4.927
_cell_length_c   9.224
_cell_angle_alpha   90.000
_cell_angle_beta   101.099
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.366
_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  0.604  0.250  0.208  1.0
  Ca  Ca1  1  0.396  0.750  0.792  1.0
  Ca  Ca2  1  0.784  0.250  0.568  1.0
  Ca  Ca3  1  0.216  0.750  0.432  1.0
  Au  Au4  1  0.040  0.750  0.081  1.0
  Au  Au5  1  0.960  0.250  0.919  1.0
  N  N6  1  0.807  0.750  0.614  1.0
  N  N7  1  0.193  0.250  0.386  1.0
[/CIF]
.
The structure described by Ca2AuN crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted L-shaped geometry to six equivalent Au(1) and two equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. Au(1) is bonded in a 9-coordinate geometry to one Ca(2), six equivalent Ca(1), and two equivalent Au(1) atoms. N(1) is bonded to two equivalent Ca(1) and four equivalent Ca(2) atoms to form a mixture of edge and corner-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF file [CIF]
data_Ca2AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.551
_cell_length_b   4.927
_cell_length_c   9.224
_cell_angle_alpha   90.000
_cell_angle_beta   101.099
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   158.366
_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  0.604  0.250  0.208  1.0
  Ca  Ca1  1  0.396  0.750  0.792  1.0
  Ca  Ca2  1  0.784  0.250  0.568  1.0
  Ca  Ca3  1  0.216  0.750  0.432  1.0
  Au  Au4  1  0.040  0.750  0.081  1.0
  Au  Au5  1  0.960  0.250  0.919  1.0
  N  N6  1  0.807  0.750  0.614  1.0
  N  N7  1  0.193  0.250  0.386  1.0
[/CIF]
.