data_global
_amcsd_formula_title 'Ca3 Cr N3'
loop_
_publ_author_name
'Vennos D'
'Badding M'
'Disalvo F'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 29 
_journal_year 1990
_journal_page_first 4059
_journal_page_last 4062
_publ_section_title
;
 Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3
 _cod_database_code 1005045
;
_database_code_amcsd 0012700
_chemical_formula_sum 'Ca3 Cr N3'
_cell_length_a 8.503
_cell_length_b 10.284
_cell_length_c 5.032
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 440.023
_exptl_crystal_density_diffrn      3.234
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.00000   0.10790   0.25000
Ca2   0.28430  -0.11740   0.25000
Cr1   0.50000   0.19450   0.25000
N1   0.50000   0.37570   0.25000
N2   0.69180   0.12860   0.25000