data_global
_chemical_name_mineral 'Barringerite'
loop_
_publ_author_name
'Carlsson B'
'Golin M'
'Rundqvist S'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 8 
_journal_year 1973
_journal_page_first 57
_journal_page_last 67
_publ_section_title
;
 Determination of the homogenity range and refinement of the crystal structure
 of Fe2P
;
_database_code_amcsd 0013329
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 P'
_cell_length_a 5.8675
_cell_length_b 5.8675
_cell_length_c 3.4581
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 103.104
_exptl_crystal_density_diffrn      6.893
_symmetry_space_group_name_H-M 'P -6 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  '-x+y,-x,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  'x,y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,x-y,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.25683   0.00000   0.00000
Fe2   0.59461   0.00000   0.50000
P1   0.33333   0.66667   0.00000
P2   0.00000   0.00000   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
Fe1 0.00445 0.00484 0.00818 0.00242 0.00000 0.00000
Fe2 0.00719 0.00994 0.00763 0.00497 0.00000 0.00000
P1 0.00497 0.00497 0.00769 0.00249 0.00000 0.00000
P2 0.00654 0.00654 0.00563 0.00327 0.00000 0.00000