data_global
_amcsd_formula_title 'PON'
loop_
_publ_author_name
'Leger J M'
'Haines J'
'Chateau C'
'Bocquillon G'
'Schmidt M W'
'Hull S'
'Gorelli F'
'Lesauze A'
'Marchand R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 28 
_journal_year 2001
_journal_page_first 388
_journal_page_last 398
_publ_section_title
;
 Phosphorus oxynitride PON, a silica analogue: structure and compression
 of the cristobalite-like phase; P-T phase diagram
 Note: cristobalite structure type
;
_database_code_amcsd 0008557
_chemical_formula_sum 'P (O N)'
_cell_length_a 4.61865
_cell_length_b 4.61865
_cell_length_c 6.97882
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 148.872
_exptl_crystal_density_diffrn      2.721
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P   0.00000   0.00000   0.00000   1.00000
O   0.13803   0.25000   0.12500   0.50000
N   0.13803   0.25000   0.12500   0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
P 0.00850 0.00850 0.00540 0.00000 0.00000 0.00000
O 0.00980 0.00980 0.01350 0.00000 0.00000 -0.00720
N 0.00980 0.00980 0.01350 0.00000 0.00000 -0.00720