data_global
_chemical_name_mineral 'Melliniite'
loop_
_publ_author_name
'Pratesi G'
'Bindi L'
'Moggi-Cecchi V'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 451
_journal_page_last 454
_publ_section_title
;
 Icosahedral coordination of phosphorus in the crystal structure of melliniite,
 a new phosphide mineral from the Northwest Africa 1054 acapulcoite
;
_database_code_amcsd 0004124
_chemical_formula_sum '(Ni2.32 Fe1.68) P'
_cell_length_a 6.025
_cell_length_b 6.025
_cell_length_c 6.025
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 218.711
_exptl_crystal_density_diffrn      7.925
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,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
Ni1   0.11684   0.20686   0.45493   0.58000   0.02900
Fe1   0.11684   0.20686   0.45493   0.42000   0.02900
Ni2   0.68030   0.68030   0.68030   0.58000   0.02610
Fe2   0.68030   0.68030   0.68030   0.42000   0.02610
P   0.06220   0.06220   0.06220   1.00000   0.02420
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
Ni1 0.02950 0.02890 0.02860 0.00010 -0.00020 0.00010
Fe1 0.02950 0.02890 0.02860 0.00010 -0.00020 0.00010
Ni2 0.02610 0.02610 0.02610 0.00040 0.00040 0.00040
Fe2 0.02610 0.02610 0.02610 0.00040 0.00040 0.00040
P 0.02420 0.02420 0.02420 -0.00030 -0.00030 -0.00030