The compound described by Ca(BeN)2 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Be(1) and eight equivalent N(1) atoms. Be(1) is bonded in a trigonal planar geometry to four equivalent Ca(1) and three equivalent N(1) atoms. N(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Ca(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   5.215
_cell_angle_alpha   97.519
_cell_angle_beta   115.758
_cell_angle_gamma   115.758
_symmetry_Int_Tables_number   1
_cell_volume   105.702
_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  0.000  0.750  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.250  1.0
  Be  Be2  1  0.753  0.126  0.626  1.0
  Be  Be3  1  0.500  0.626  0.874  1.0
  Be  Be4  1  0.247  0.874  0.374  1.0
  Be  Be5  1  0.500  0.374  0.126  1.0
  N  N6  1  0.500  0.169  0.331  1.0
  N  N7  1  0.839  0.669  0.169  1.0
  N  N8  1  0.161  0.331  0.831  1.0
  N  N9  1  0.500  0.831  0.669  1.0
[/CIF]
.
The compound described by Ca(BeN)2 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Be(1) and eight equivalent N(1) atoms. Be(1) is bonded in a trigonal planar geometry to four equivalent Ca(1) and three equivalent N(1) atoms. N(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1) and three equivalent Be(1) atoms. is represented by the CIF card [CIF]
data_Ca(BeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   5.215
_cell_angle_alpha   97.519
_cell_angle_beta   115.758
_cell_angle_gamma   115.758
_symmetry_Int_Tables_number   1
_cell_volume   105.702
_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  0.000  0.750  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.250  1.0
  Be  Be2  1  0.753  0.126  0.626  1.0
  Be  Be3  1  0.500  0.626  0.874  1.0
  Be  Be4  1  0.247  0.874  0.374  1.0
  Be  Be5  1  0.500  0.374  0.126  1.0
  N  N6  1  0.500  0.169  0.331  1.0
  N  N7  1  0.839  0.669  0.169  1.0
  N  N8  1  0.161  0.331  0.831  1.0
  N  N9  1  0.500  0.831  0.669  1.0
[/CIF]
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