The compound described by Ca2ZnN2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Zn(1) atom to form a mixture of edge and corner-sharing NCa5Zn octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Ca2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.580
_cell_length_b   3.580
_cell_length_c   6.768
_cell_angle_alpha   105.336
_cell_angle_beta   105.336
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.423
_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  0.663  0.663  0.326  1.0
  Ca  Ca1  1  0.337  0.337  0.674  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.854  0.854  0.709  1.0
  N  N4  1  0.146  0.146  0.291  1.0
[/CIF]
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The compound described by Ca2ZnN2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ca(1) and one Zn(1) atom to form a mixture of edge and corner-sharing NCa5Zn octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Ca2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.580
_cell_length_b   3.580
_cell_length_c   6.768
_cell_angle_alpha   105.336
_cell_angle_beta   105.336
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   80.423
_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  0.663  0.663  0.326  1.0
  Ca  Ca1  1  0.337  0.337  0.674  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.854  0.854  0.709  1.0
  N  N4  1  0.146  0.146  0.291  1.0
[/CIF]
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