The material structure described by YSiO2N crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(2), two equivalent O(2), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), and two equivalent O(1) atoms to form corner-sharing SiN2O2 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent N(2) and two equivalent O(2) atoms to form corner-sharing SiN2O2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Y(2) and two equivalent Si(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Si(1), and one Si(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_YSiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.090
_cell_length_b   7.090
_cell_length_c   9.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.328
_symmetry_Int_Tables_number   1
_cell_volume   399.335
_cell_formula_units_Z   6
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
  Y  Y0  1  0.825  0.175  0.500  1.0
  Y  Y1  1  0.175  0.825  0.000  1.0
  Y  Y2  1  0.825  0.175  0.000  1.0
  Y  Y3  1  0.175  0.825  0.500  1.0
  Y  Y4  1  0.500  0.500  0.500  1.0
  Y  Y5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.165  0.409  0.250  1.0
  Si  Si7  1  0.591  0.835  0.750  1.0
  Si  Si8  1  0.916  0.916  0.250  1.0
  Si  Si9  1  0.835  0.591  0.750  1.0
  Si  Si10  1  0.084  0.084  0.750  1.0
  Si  Si11  1  0.409  0.165  0.250  1.0
  N  N12  1  0.598  0.598  0.750  1.0
  N  N13  1  0.837  0.074  0.750  1.0
  N  N14  1  0.074  0.837  0.750  1.0
  N  N15  1  0.926  0.163  0.250  1.0
  N  N16  1  0.402  0.402  0.250  1.0
  N  N17  1  0.163  0.926  0.250  1.0
  O  O18  1  0.166  0.526  0.094  1.0
  O  O19  1  0.474  0.834  0.906  1.0
  O  O20  1  0.474  0.834  0.594  1.0
  O  O21  1  0.526  0.166  0.094  1.0
  O  O22  1  0.803  0.803  0.409  1.0
  O  O23  1  0.834  0.474  0.906  1.0
  O  O24  1  0.834  0.474  0.594  1.0
  O  O25  1  0.197  0.197  0.591  1.0
  O  O26  1  0.197  0.197  0.909  1.0
  O  O27  1  0.803  0.803  0.091  1.0
  O  O28  1  0.526  0.166  0.406  1.0
  O  O29  1  0.166  0.526  0.406  1.0
[/CIF]
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The material structure described by YSiO2N crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent N(2), two equivalent O(2), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent N(1), two equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), and two equivalent O(1) atoms to form corner-sharing SiN2O2 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent N(2) and two equivalent O(2) atoms to form corner-sharing SiN2O2 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Y(2) and two equivalent Si(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Si(1), and one Si(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_YSiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.090
_cell_length_b   7.090
_cell_length_c   9.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.328
_symmetry_Int_Tables_number   1
_cell_volume   399.335
_cell_formula_units_Z   6
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
  Y  Y0  1  0.825  0.175  0.500  1.0
  Y  Y1  1  0.175  0.825  0.000  1.0
  Y  Y2  1  0.825  0.175  0.000  1.0
  Y  Y3  1  0.175  0.825  0.500  1.0
  Y  Y4  1  0.500  0.500  0.500  1.0
  Y  Y5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.165  0.409  0.250  1.0
  Si  Si7  1  0.591  0.835  0.750  1.0
  Si  Si8  1  0.916  0.916  0.250  1.0
  Si  Si9  1  0.835  0.591  0.750  1.0
  Si  Si10  1  0.084  0.084  0.750  1.0
  Si  Si11  1  0.409  0.165  0.250  1.0
  N  N12  1  0.598  0.598  0.750  1.0
  N  N13  1  0.837  0.074  0.750  1.0
  N  N14  1  0.074  0.837  0.750  1.0
  N  N15  1  0.926  0.163  0.250  1.0
  N  N16  1  0.402  0.402  0.250  1.0
  N  N17  1  0.163  0.926  0.250  1.0
  O  O18  1  0.166  0.526  0.094  1.0
  O  O19  1  0.474  0.834  0.906  1.0
  O  O20  1  0.474  0.834  0.594  1.0
  O  O21  1  0.526  0.166  0.094  1.0
  O  O22  1  0.803  0.803  0.409  1.0
  O  O23  1  0.834  0.474  0.906  1.0
  O  O24  1  0.834  0.474  0.594  1.0
  O  O25  1  0.197  0.197  0.591  1.0
  O  O26  1  0.197  0.197  0.909  1.0
  O  O27  1  0.803  0.803  0.091  1.0
  O  O28  1  0.526  0.166  0.406  1.0
  O  O29  1  0.166  0.526  0.406  1.0
[/CIF]
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