data_global
_chemical_name_mineral 'Krasheninnikovite'
loop_
_publ_author_name
'Pekov I V'
'Zelenski M E'
'Zubkova N V'
'Ksenofontov D A'
'Kabalov Y K'
'Chukanov N V'
'Yapaskurt V O'
'Zadov A E'
'Pushcharovsky D Y'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1788
_journal_page_last 1795
_publ_section_title
;
 Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from
 the Tolbachik volcano, Kamchatka, Russia
;
_database_code_amcsd 0019472
_chemical_compound_source 'Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum 'Mg3 Ca3 Na6.56 K2.44 S9 F3 O36'
_cell_length_a 16.6682
_cell_length_b 16.6682
_cell_length_c 6.9007
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1660.356
_exptl_crystal_density_diffrn      2.722
_symmetry_space_group_name_H-M 'P 63/m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
  'x-y,-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
Mg   0.50000   0.00000   0.00000   1.00000   0.00900
Ca   0.00000   0.23710   0.25000   1.00000   0.01200
Na   0.70380   0.11580   0.25000   1.00000   0.02500
K   0.00000   0.00000   0.00000   1.00000   0.02700
K   0.66667   0.33333   0.00000   0.72000   0.05300
Na   0.66667   0.33333   0.00000   0.28000   0.05300
S1   0.81170   0.00000   0.25000   1.00000   0.01300
S2   0.53710   0.68430   0.25000   1.00000   0.01500
F   0.55770   0.00000   0.25000   1.00000   0.01900
O1   0.47060   0.71390   0.25000   1.00000   0.01400
O2   0.52370   0.62630   0.42340   1.00000   0.05200
O3   0.62710   0.76320   0.25000   1.00000   0.05200
O4   0.82300  -0.07890   0.25000   1.00000   0.02200
O5   0.75590   0.00000   0.08600   1.00000   0.02500