data_global
_amcsd_formula_title 'Cu N Sr'
loop_
_publ_author_name
'DiSalvo F'
'Trail S'
'Yamane H'
'Brese N'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 255 
_journal_year 1997
_journal_page_first 122
_journal_page_last 129
_publ_section_title
;
 The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
 anions and the single crystal structural determination of Sr Cu N
 _cod_database_code 1005038
;
_database_code_amcsd 0012786
_chemical_formula_sum 'Cu Sr N'
_cell_length_a 9.045
_cell_length_b 13.234
_cell_length_c 5.388
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 644.952
_exptl_crystal_density_diffrn      5.103
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.17960   0.15640   0.51290
Sr1   0.34030   0.08660   0.01570
N1   0.08710   0.07990   0.75660
Sr2   0.02260   0.25000   0.00200
N2   0.25760   0.25000   0.28440
Cu2   0.00000   0.00000   0.00000
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
Cu1 0.00700 0.00400 0.00400 -0.00100 0.00200 0.00200
Sr1 0.00400 0.00500 0.00500 0.00100 -0.00200 -0.00100
N1 0.00700 0.00900 0.01000 0.00200 0.00700 0.00700
Sr2 0.00200 0.00500 0.00400 0.00000 0.00100 0.00000
N2 0.00500 0.00200 0.00400 0.00000 0.00300 0.00000
Cu2 0.00700 0.00800 0.00500 -0.00300 0.00100 0.00100