data_global
_chemical_name_mineral 'Nickelphosphide'
loop_
_publ_author_name
'Skala R'
'Drabek M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 67 
_journal_year 2003
_journal_page_first 783
_journal_page_last 792
_publ_section_title
;
 Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure
 refinement of synthetic analogue
 Sample: P-44
;
_database_code_amcsd 0014567
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni1.67 Fe1.33 P'
_cell_length_a 9.0127
_cell_length_b 9.0127
_cell_length_c 4.4473
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 361.249
_exptl_crystal_density_diffrn      7.475
_symmetry_space_group_name_H-M 'I -4'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NiMe2   0.36590   0.03020   0.97400   0.67000   0.01140
FeMe2   0.36590   0.03020   0.97400   0.33000   0.01140
NiMe3   0.16770   0.22060   0.74900   1.00000   0.00633
FeMe1   0.07950   0.10810   0.23600   1.00000   0.02913
P   0.28730   0.04820   0.48000   1.00000   0.02026