data_global
_chemical_name_mineral 'Whitecapsite'
loop_
_publ_author_name
'Pekov I V'
'Zubkova N V'
'Gottlicher J'
'Yapaskurt V O'
'Chukanov N V'
'Lykova I S'
'Belakovskiy D I'
'Jensen M C'
'Leising J F'
'Nikischer A J'
'Pushcharovsky D Y'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 26 
_journal_year 2014
_journal_page_first 577
_journal_page_last 587
_publ_section_title
;
 Whitecapsite, a new hydrous iron and trivalent antimony arsenate mineral from
 the White Caps mine, Nevada, USA
 Note: Not all H atoms could be located
;
_database_code_amcsd 0020491
_chemical_compound_source 'White Caps gold deposit, Manhattan district, Nye County, Nevada, USA'
_chemical_formula_sum 'Sb3 Fe9.508 As9 O104 H120'
_cell_length_a 16.0916
_cell_length_b 16.0916
_cell_length_c 21.7127
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 4869.036
_exptl_crystal_density_diffrn      2.289
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-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
Sb   0.86130   0.53517   0.25000   1.00000   0.02480
Fe1   0.66670   0.33330   0.25000   1.00000   0.01720
Fe2   0.65449   0.44039   0.36665   1.00000   0.02050
Fe3   0.90310   0.64530  -0.06725   0.41800   0.02740
As1   0.90567   0.31548   0.25000   1.00000   0.02370
As2   0.86883   0.56078   0.08257   1.00000   0.02180
O1   0.66670   0.33330   0.40620   1.00000   0.01700
O2   0.75400   0.54130   0.08290   1.00000   0.02460
O3   0.75700   0.43660   0.30924   1.00000   0.01580
O4   0.89320   0.37050   0.18800   1.00000   0.02860
O5   0.86440   0.45300   0.07940   1.00000   0.02500
O6   0.81740   0.19810   0.25000   1.00000   0.02380
Wat7   0.76460   0.52630  -0.07020   1.00000   0.04860
O8   0.92400   0.61780   0.14820   1.00000   0.03060
Wat9   0.04710   0.76100  -0.07350   1.00000   0.03980
O10   0.92910   0.62400   0.02130   1.00000   0.02860
Wat11   0.88350   0.67680  -0.15690   1.00000   0.05300
O12   0.01040   0.31970   0.25000   1.00000   0.04500
Wat13   0.95250   0.55580  -0.10220   1.00000   0.04100
Wat14   0.85400   0.73980  -0.04350   1.00000   0.05300
Wat15   0.91240   0.39710  -0.02860   1.00000   0.03250
Wat16   0.66670   0.33330   0.52820   1.00000   0.04600
Wat17   0.10780   0.68440   0.18600   1.00000   0.10500
Wat18   0.14590   0.94420  -0.13960   1.00000   0.12000
Wat19   0.78360   0.42060  -0.18660   1.00000   0.12300
Wat20   0.04300   0.90400  -0.25000   1.00000   0.07200
Wat21   0.00000   0.00000   0.00000   1.00000   0.12000