The crystal structure described by Sr3(TaN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted rectangular see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing TaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Sr3(TaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.413
_cell_length_c   5.445
_cell_angle_alpha   90.000
_cell_angle_beta   91.025
_cell_angle_gamma   119.098
_symmetry_Int_Tables_number   1
_cell_volume   346.102
_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  0.259  0.005  0.053  1.0
  Sr  Sr1  1  0.741  0.746  0.447  1.0
  Sr  Sr2  1  0.741  0.995  0.947  1.0
  Sr  Sr3  1  0.259  0.254  0.553  1.0
  Sr  Sr4  1  0.000  0.621  0.750  1.0
  Sr  Sr5  1  0.000  0.379  0.250  1.0
  Ta  Ta6  1  0.606  0.202  0.552  1.0
  Ta  Ta7  1  0.394  0.596  0.948  1.0
  Ta  Ta8  1  0.394  0.798  0.448  1.0
  Ta  Ta9  1  0.606  0.404  0.052  1.0
  N  N10  1  0.335  0.985  0.561  1.0
  N  N11  1  0.665  0.650  0.939  1.0
  N  N12  1  0.665  0.015  0.439  1.0
  N  N13  1  0.335  0.350  0.061  1.0
  N  N14  1  0.745  0.304  0.870  1.0
  N  N15  1  0.255  0.559  0.630  1.0
  N  N16  1  0.255  0.696  0.130  1.0
  N  N17  1  0.745  0.441  0.370  1.0
[/CIF]
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The crystal structure described by Sr3(TaN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted rectangular see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Ta(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing TaN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Sr3(TaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.650
_cell_length_b   8.413
_cell_length_c   5.445
_cell_angle_alpha   90.000
_cell_angle_beta   91.025
_cell_angle_gamma   119.098
_symmetry_Int_Tables_number   1
_cell_volume   346.102
_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  0.259  0.005  0.053  1.0
  Sr  Sr1  1  0.741  0.746  0.447  1.0
  Sr  Sr2  1  0.741  0.995  0.947  1.0
  Sr  Sr3  1  0.259  0.254  0.553  1.0
  Sr  Sr4  1  0.000  0.621  0.750  1.0
  Sr  Sr5  1  0.000  0.379  0.250  1.0
  Ta  Ta6  1  0.606  0.202  0.552  1.0
  Ta  Ta7  1  0.394  0.596  0.948  1.0
  Ta  Ta8  1  0.394  0.798  0.448  1.0
  Ta  Ta9  1  0.606  0.404  0.052  1.0
  N  N10  1  0.335  0.985  0.561  1.0
  N  N11  1  0.665  0.650  0.939  1.0
  N  N12  1  0.665  0.015  0.439  1.0
  N  N13  1  0.335  0.350  0.061  1.0
  N  N14  1  0.745  0.304  0.870  1.0
  N  N15  1  0.255  0.559  0.630  1.0
  N  N16  1  0.255  0.696  0.130  1.0
  N  N17  1  0.745  0.441  0.370  1.0
[/CIF]
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