The material structure described by Sr3Y2N4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. In the second Y site, Y(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Y(1), and one Y(2) atom. In the second N site, N(2) is bonded to two equivalent Sr(1), one Y(1), and one Y(2) atom to form corner-sharing NSr2Y2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Y2N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   12.495
_cell_length_c   10.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.934
_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  0.683  0.173  0.396  1.0
  Sr  Sr1  1  0.817  0.827  0.396  1.0
  Sr  Sr2  1  0.683  0.327  0.104  1.0
  Sr  Sr3  1  0.817  0.673  0.104  1.0
  Sr  Sr4  1  0.317  0.827  0.604  1.0
  Sr  Sr5  1  0.183  0.173  0.604  1.0
  Sr  Sr6  1  0.317  0.673  0.896  1.0
  Sr  Sr7  1  0.183  0.327  0.896  1.0
  Sr  Sr8  1  0.750  0.500  0.438  1.0
  Sr  Sr9  1  0.750  0.000  0.062  1.0
  Sr  Sr10  1  0.250  0.500  0.562  1.0
  Sr  Sr11  1  0.250  0.000  0.938  1.0
  Y  Y12  1  0.750  0.500  0.790  1.0
  Y  Y13  1  0.750  0.000  0.710  1.0
  Y  Y14  1  0.250  0.500  0.210  1.0
  Y  Y15  1  0.250  0.000  0.290  1.0
  Y  Y16  1  0.732  0.250  0.750  1.0
  Y  Y17  1  0.768  0.750  0.750  1.0
  Y  Y18  1  0.268  0.750  0.250  1.0
  Y  Y19  1  0.232  0.250  0.250  1.0
  N  N20  1  0.956  0.385  0.667  1.0
  N  N21  1  0.544  0.615  0.667  1.0
  N  N22  1  0.956  0.115  0.833  1.0
  N  N23  1  0.544  0.885  0.833  1.0
  N  N24  1  0.044  0.615  0.333  1.0
  N  N25  1  0.456  0.385  0.333  1.0
  N  N26  1  0.044  0.885  0.167  1.0
  N  N27  1  0.456  0.115  0.167  1.0
  N  N28  1  0.561  0.364  0.881  1.0
  N  N29  1  0.939  0.636  0.881  1.0
  N  N30  1  0.561  0.136  0.619  1.0
  N  N31  1  0.939  0.864  0.619  1.0
  N  N32  1  0.439  0.636  0.119  1.0
  N  N33  1  0.061  0.364  0.119  1.0
  N  N34  1  0.439  0.864  0.381  1.0
  N  N35  1  0.061  0.136  0.381  1.0
[/CIF]
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The material structure described by Sr3Y2N4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. In the second Y site, Y(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Y(1), and one Y(2) atom. In the second N site, N(2) is bonded to two equivalent Sr(1), one Y(1), and one Y(2) atom to form corner-sharing NSr2Y2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Y2N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   12.495
_cell_length_c   10.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   812.934
_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  0.683  0.173  0.396  1.0
  Sr  Sr1  1  0.817  0.827  0.396  1.0
  Sr  Sr2  1  0.683  0.327  0.104  1.0
  Sr  Sr3  1  0.817  0.673  0.104  1.0
  Sr  Sr4  1  0.317  0.827  0.604  1.0
  Sr  Sr5  1  0.183  0.173  0.604  1.0
  Sr  Sr6  1  0.317  0.673  0.896  1.0
  Sr  Sr7  1  0.183  0.327  0.896  1.0
  Sr  Sr8  1  0.750  0.500  0.438  1.0
  Sr  Sr9  1  0.750  0.000  0.062  1.0
  Sr  Sr10  1  0.250  0.500  0.562  1.0
  Sr  Sr11  1  0.250  0.000  0.938  1.0
  Y  Y12  1  0.750  0.500  0.790  1.0
  Y  Y13  1  0.750  0.000  0.710  1.0
  Y  Y14  1  0.250  0.500  0.210  1.0
  Y  Y15  1  0.250  0.000  0.290  1.0
  Y  Y16  1  0.732  0.250  0.750  1.0
  Y  Y17  1  0.768  0.750  0.750  1.0
  Y  Y18  1  0.268  0.750  0.250  1.0
  Y  Y19  1  0.232  0.250  0.250  1.0
  N  N20  1  0.956  0.385  0.667  1.0
  N  N21  1  0.544  0.615  0.667  1.0
  N  N22  1  0.956  0.115  0.833  1.0
  N  N23  1  0.544  0.885  0.833  1.0
  N  N24  1  0.044  0.615  0.333  1.0
  N  N25  1  0.456  0.385  0.333  1.0
  N  N26  1  0.044  0.885  0.167  1.0
  N  N27  1  0.456  0.115  0.167  1.0
  N  N28  1  0.561  0.364  0.881  1.0
  N  N29  1  0.939  0.636  0.881  1.0
  N  N30  1  0.561  0.136  0.619  1.0
  N  N31  1  0.939  0.864  0.619  1.0
  N  N32  1  0.439  0.636  0.119  1.0
  N  N33  1  0.061  0.364  0.119  1.0
  N  N34  1  0.439  0.864  0.381  1.0
  N  N35  1  0.061  0.136  0.381  1.0
[/CIF]
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