data_global
_chemical_name_mineral 'Kingstonite'
loop_
_publ_author_name
'Stanley C J'
'Criddle A J'
'Spratt J'
'Roberts A C'
'Szymanski J T'
'Welch M D'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 69 
_journal_year 2005
_journal_page_first 447
_journal_page_last 453
_publ_section_title
;
 Kingstonite, (Rh,Ir,Pt)3S4, a new mineral species from Yubdo, Ethiopia
;
_database_code_amcsd 0014575
_chemical_compound_source 'Bir Bir River, Yubdo District, Wallaga Province, Ethiopia'
_chemical_formula_sum '(Rh2.273 Ir.727) S4'
_cell_length_a 10.4616
_cell_length_b 10.7527
_cell_length_c 6.2648
_cell_angle_alpha 90
_cell_angle_beta 109.000
_cell_angle_gamma 90
_cell_volume 666.335
_exptl_crystal_density_diffrn      7.504
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
_atom_site_occupancy
Rh1   0.36578   0.14279   0.95211   0.75000
Ir1   0.36578   0.14279   0.95211   0.25000
Rh2   0.64989   0.00000   0.44360   0.90000
Ir2   0.64989   0.00000   0.44360   0.10000
Rh3   0.00000   0.00000   0.00000   0.64000
Ir3   0.00000   0.00000   0.00000   0.36000
Rh4   0.00000   0.16031   0.50000   0.69000
Ir4   0.00000   0.16031   0.50000   0.31000
S1   0.41625   0.00000   0.23612   1.00000
S2   0.87342   0.15705   0.11257   1.00000
S3   0.11639   0.00000   0.39114   1.00000
S4   0.14923   0.28955   0.40093   1.00000
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
Rh1 0.00550 0.00640 0.00660 -0.00040 0.00240 -0.00050
Ir1 0.00550 0.00640 0.00660 -0.00040 0.00240 -0.00050
Rh2 0.00490 0.00610 0.00700 0.00000 0.00210 0.00000
Ir2 0.00490 0.00610 0.00700 0.00000 0.00210 0.00000
Rh3 0.00390 0.00570 0.00420 0.00000 0.00150 0.00000
Ir3 0.00390 0.00570 0.00420 0.00000 0.00150 0.00000
Rh4 0.00480 0.00470 0.00500 0.00000 0.00130 0.00000
Ir4 0.00480 0.00470 0.00500 0.00000 0.00130 0.00000
S1 0.00550 0.00840 0.00510 0.00000 -0.00060 0.00000
S2 0.00480 0.00620 0.00750 0.00180 0.00190 0.00060
S3 0.01190 0.00850 0.00560 0.00000 0.00460 0.00000
S4 0.00710 0.00780 0.00560 -0.00330 0.00230 0.00020