The crystal structure described by Sr3(OsN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Os(1), and one Os(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr4Os2 octahedra. The corner-sharing octahedral tilt angles range from 26-80°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Os(1), and one Os(2) atom. is represented by the CIF card [CIF]
data_Sr3(OsN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   10.423
_cell_length_c   9.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.927
_cell_formula_units_Z   4
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  0.630  0.155  0.423  1.0
  Sr  Sr1  1  0.870  0.845  0.423  1.0
  Sr  Sr2  1  0.630  0.345  0.077  1.0
  Sr  Sr3  1  0.870  0.655  0.077  1.0
  Sr  Sr4  1  0.370  0.845  0.577  1.0
  Sr  Sr5  1  0.130  0.155  0.577  1.0
  Sr  Sr6  1  0.370  0.655  0.923  1.0
  Sr  Sr7  1  0.130  0.345  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.407  1.0
  Sr  Sr9  1  0.750  0.000  0.093  1.0
  Sr  Sr10  1  0.250  0.500  0.593  1.0
  Sr  Sr11  1  0.250  0.000  0.907  1.0
  Os  Os12  1  0.750  0.500  0.747  1.0
  Os  Os13  1  0.750  0.000  0.753  1.0
  Os  Os14  1  0.250  0.500  0.253  1.0
  Os  Os15  1  0.250  0.000  0.247  1.0
  Os  Os16  1  0.696  0.250  0.750  1.0
  Os  Os17  1  0.804  0.750  0.750  1.0
  Os  Os18  1  0.304  0.750  0.250  1.0
  Os  Os19  1  0.196  0.250  0.250  1.0
  N  N20  1  0.921  0.358  0.656  1.0
  N  N21  1  0.579  0.642  0.656  1.0
  N  N22  1  0.921  0.142  0.844  1.0
  N  N23  1  0.579  0.858  0.844  1.0
  N  N24  1  0.079  0.642  0.344  1.0
  N  N25  1  0.421  0.358  0.344  1.0
  N  N26  1  0.079  0.858  0.156  1.0
  N  N27  1  0.421  0.142  0.156  1.0
  N  N28  1  0.484  0.398  0.808  1.0
  N  N29  1  0.016  0.602  0.808  1.0
  N  N30  1  0.484  0.102  0.692  1.0
  N  N31  1  0.016  0.898  0.692  1.0
  N  N32  1  0.516  0.602  0.192  1.0
  N  N33  1  0.984  0.398  0.192  1.0
  N  N34  1  0.516  0.898  0.308  1.0
  N  N35  1  0.984  0.102  0.308  1.0
[/CIF]
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The crystal structure described by Sr3(OsN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Os(1), and one Os(2) atom to form a mixture of distorted edge, face, and corner-sharing NSr4Os2 octahedra. The corner-sharing octahedral tilt angles range from 26-80°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Os(1), and one Os(2) atom. is represented by the CIF card [CIF]
data_Sr3(OsN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.312
_cell_length_b   10.423
_cell_length_c   9.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.927
_cell_formula_units_Z   4
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  0.630  0.155  0.423  1.0
  Sr  Sr1  1  0.870  0.845  0.423  1.0
  Sr  Sr2  1  0.630  0.345  0.077  1.0
  Sr  Sr3  1  0.870  0.655  0.077  1.0
  Sr  Sr4  1  0.370  0.845  0.577  1.0
  Sr  Sr5  1  0.130  0.155  0.577  1.0
  Sr  Sr6  1  0.370  0.655  0.923  1.0
  Sr  Sr7  1  0.130  0.345  0.923  1.0
  Sr  Sr8  1  0.750  0.500  0.407  1.0
  Sr  Sr9  1  0.750  0.000  0.093  1.0
  Sr  Sr10  1  0.250  0.500  0.593  1.0
  Sr  Sr11  1  0.250  0.000  0.907  1.0
  Os  Os12  1  0.750  0.500  0.747  1.0
  Os  Os13  1  0.750  0.000  0.753  1.0
  Os  Os14  1  0.250  0.500  0.253  1.0
  Os  Os15  1  0.250  0.000  0.247  1.0
  Os  Os16  1  0.696  0.250  0.750  1.0
  Os  Os17  1  0.804  0.750  0.750  1.0
  Os  Os18  1  0.304  0.750  0.250  1.0
  Os  Os19  1  0.196  0.250  0.250  1.0
  N  N20  1  0.921  0.358  0.656  1.0
  N  N21  1  0.579  0.642  0.656  1.0
  N  N22  1  0.921  0.142  0.844  1.0
  N  N23  1  0.579  0.858  0.844  1.0
  N  N24  1  0.079  0.642  0.344  1.0
  N  N25  1  0.421  0.358  0.344  1.0
  N  N26  1  0.079  0.858  0.156  1.0
  N  N27  1  0.421  0.142  0.156  1.0
  N  N28  1  0.484  0.398  0.808  1.0
  N  N29  1  0.016  0.602  0.808  1.0
  N  N30  1  0.484  0.102  0.692  1.0
  N  N31  1  0.016  0.898  0.692  1.0
  N  N32  1  0.516  0.602  0.192  1.0
  N  N33  1  0.984  0.398  0.192  1.0
  N  N34  1  0.516  0.898  0.308  1.0
  N  N35  1  0.984  0.102  0.308  1.0
[/CIF]
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