The crystal structure described by Sr6GaN5 crystallizes in the hexagonal P6_3/mcm space group. Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. Ga(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Sr(1) atoms to form distorted edge-sharing NSr6 octahedra. In the second N site, N(1) is bonded in a 7-coordinate geometry to six equivalent Sr(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_Sr6GaN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.720
_cell_length_b   6.720
_cell_length_c   13.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   512.096
_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
  Sr  Sr0  1  0.592  0.592  0.876  1.0
  Sr  Sr1  1  0.408  0.000  0.876  1.0
  Sr  Sr2  1  0.000  0.408  0.876  1.0
  Sr  Sr3  1  0.000  0.592  0.376  1.0
  Sr  Sr4  1  0.408  0.000  0.624  1.0
  Sr  Sr5  1  0.408  0.408  0.376  1.0
  Sr  Sr6  1  0.592  0.000  0.376  1.0
  Sr  Sr7  1  0.408  0.408  0.124  1.0
  Sr  Sr8  1  0.000  0.592  0.124  1.0
  Sr  Sr9  1  0.000  0.408  0.624  1.0
  Sr  Sr10  1  0.592  0.592  0.624  1.0
  Sr  Sr11  1  0.592  0.000  0.124  1.0
  Ga  Ga12  1  0.000  0.000  0.750  1.0
  Ga  Ga13  1  0.000  0.000  0.250  1.0
  N  N14  1  0.715  0.000  0.750  1.0
  N  N15  1  0.715  0.715  0.250  1.0
  N  N16  1  0.000  0.285  0.250  1.0
  N  N17  1  0.000  0.715  0.750  1.0
  N  N18  1  0.285  0.285  0.750  1.0
  N  N19  1  0.333  0.667  0.000  1.0
  N  N20  1  0.285  0.000  0.250  1.0
  N  N21  1  0.667  0.333  0.000  1.0
  N  N22  1  0.667  0.333  0.500  1.0
  N  N23  1  0.333  0.667  0.500  1.0
[/CIF]
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The crystal structure described by Sr6GaN5 crystallizes in the hexagonal P6_3/mcm space group. Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. Ga(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to six equivalent Sr(1) atoms to form distorted edge-sharing NSr6 octahedra. In the second N site, N(1) is bonded in a 7-coordinate geometry to six equivalent Sr(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_Sr6GaN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.720
_cell_length_b   6.720
_cell_length_c   13.096
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   512.096
_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
  Sr  Sr0  1  0.592  0.592  0.876  1.0
  Sr  Sr1  1  0.408  0.000  0.876  1.0
  Sr  Sr2  1  0.000  0.408  0.876  1.0
  Sr  Sr3  1  0.000  0.592  0.376  1.0
  Sr  Sr4  1  0.408  0.000  0.624  1.0
  Sr  Sr5  1  0.408  0.408  0.376  1.0
  Sr  Sr6  1  0.592  0.000  0.376  1.0
  Sr  Sr7  1  0.408  0.408  0.124  1.0
  Sr  Sr8  1  0.000  0.592  0.124  1.0
  Sr  Sr9  1  0.000  0.408  0.624  1.0
  Sr  Sr10  1  0.592  0.592  0.624  1.0
  Sr  Sr11  1  0.592  0.000  0.124  1.0
  Ga  Ga12  1  0.000  0.000  0.750  1.0
  Ga  Ga13  1  0.000  0.000  0.250  1.0
  N  N14  1  0.715  0.000  0.750  1.0
  N  N15  1  0.715  0.715  0.250  1.0
  N  N16  1  0.000  0.285  0.250  1.0
  N  N17  1  0.000  0.715  0.750  1.0
  N  N18  1  0.285  0.285  0.750  1.0
  N  N19  1  0.333  0.667  0.000  1.0
  N  N20  1  0.285  0.000  0.250  1.0
  N  N21  1  0.667  0.333  0.000  1.0
  N  N22  1  0.667  0.333  0.500  1.0
  N  N23  1  0.333  0.667  0.500  1.0
[/CIF]
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