data_global
_chemical_name_mineral 'Orishchinite'
loop_
_publ_author_name
'Britvin S N'
'Murashko M N'
'Vapnik Y'
'Zaitsev A N'
'Shilovskikh V V'
'Krzhizhanovskaya M G'
'Gorelova L A'
'Vereshchagin O S'
'Vasilev E A'
'Vlasenko N S'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 116 
_journal_year 2022
_journal_page_first 1
_journal_page_last 10
_publ_section_title
;
 Orishchinite, a new terrestrial phosphide, the Ni-dominant analogue of allabogdanite
 (https://doi.org/10.1007/s00710-022-00787-x)
;
_database_code_amcsd 0021081
_chemical_compound_source 'Daba-Siwaqa combustion complex in West Jordan'
_chemical_formula_sum 'Ni (Fe.561 Mo.439) P'
_cell_length_a 5.8020
_cell_length_b 3.5933
_cell_length_c 6.7558
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 140.847
_exptl_crystal_density_diffrn      7.692
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ni1   0.64106   0.75000   0.43655   1.00000   0.00690
Fe2   0.02995   0.75000   0.66966   0.56100   0.00665
Mo2   0.02995   0.75000   0.66966   0.43900   0.00665
P   0.25768   0.75000   0.37710   1.00000   0.00490
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 0.00750 0.00630 0.00690 0.00000 0.00044 0.00000
Fe2 0.00740 0.00640 0.00620 0.00000 0.00024 0.00000
Mo2 0.00740 0.00640 0.00620 0.00000 0.00024 0.00000
P 0.00580 0.00390 0.00490 0.00000 -0.00090 0.00000