data_global
_chemical_name_mineral 'Klochite'
loop_
_publ_author_name
'Bojar H P'
'Walter F'
'Hauzenberger C'
'Postl W'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 49 
_journal_year 2011
_journal_page_first 1115
_journal_page_last 1124
_publ_section_title
;
 Klochite, K_2(Fe2+Fe3+)Zn3[Si12O30], a new milarite-type mineral species
 from the Kloch volcano, Styria, Austria
;
_database_code_amcsd 0018643
_chemical_compound_source 'Kloch volcano, Bad Radkersburg district, Styria, Austria'
_chemical_formula_sum 'K.81 Na.35 (Fe1.74 Mn.26) Zn2.79 Si12 O30'
_cell_length_a 10.120
_cell_length_b 10.120
_cell_length_c 14.298
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1268.139
_exptl_crystal_density_diffrn      3.013
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,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
KC   0.00000   0.00000   0.25000   0.81000   0.01300
NaC   0.00000   0.00000   0.25000   0.19000   0.01300
NaB   0.33333   0.66667   0.00000   0.08000   0.03000
FeA   0.33333   0.66667   0.25000   0.87000   0.00630
MnA   0.33333   0.66667   0.25000   0.13000   0.00630
ZnT2   0.50000   0.00000   0.25000   0.93000   0.00810
SiT1   0.11653   0.35251   0.10978   1.00000   0.00790
O1   0.13030   0.39110   0.00000   1.00000   0.01350
O2   0.22110   0.27730   0.13540   1.00000   0.01460
O3   0.15860   0.49930   0.17200   1.00000   0.01030
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
KC 0.01400 0.01400 0.01000 0.00690 0.00000 0.00000
NaC 0.01400 0.01400 0.01000 0.00690 0.00000 0.00000
FeA 0.00710 0.00710 0.00470 0.00350 0.00000 0.00000
MnA 0.00710 0.00710 0.00470 0.00350 0.00000 0.00000
ZnT2 0.00960 0.00740 0.00640 0.00370 0.00000 0.00000
SiT1 0.00840 0.01070 0.00480 0.00490 -0.00030 -0.00060
O1 0.01600 0.02000 0.00500 0.00900 0.00000 0.00000
O2 0.01800 0.02000 0.01030 0.01350 -0.00170 -0.00110
O3 0.01190 0.01160 0.00810 0.00630 0.00010 -0.00050