data_global
_chemical_name_mineral 'Kinichilite'
loop_
_publ_author_name
'Miletich F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 509
_journal_page_last 523
_publ_section_title
;
 Crystal chemistry of the microporous tellurite minerals
 zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn)
 Note: sample kaw4
;
_database_code_amcsd 0006593
_chemical_compound_source 'Kawazu Mine, Rendaiji, Shimoda City, Shizuoka Prefecture, Japan'
_chemical_formula_sum 'Te3 (Fe.98 Zn.54 Mn.48) Mg.51 O13.5 H9'
_cell_length_a 9.451
_cell_length_b 9.451
_cell_length_c 7.687
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 594.625
_exptl_crystal_density_diffrn      4.114
_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
Te   0.49966   0.45825   0.25000   1.00000   0.01820
Fe   0.33333   0.66667   0.06051   0.49000   0.02080
Zn   0.33333   0.66667   0.06051   0.27000   0.02080
Mn   0.33333   0.66667   0.06051   0.24000   0.02080
Mg   0.00000   0.00000   0.17030   0.25500   0.01600
O1   0.16100   0.50460   0.25000   1.00000   0.02060
O2   0.48810   0.14140   0.07070   1.00000   0.02800
Wat3   0.05830   0.19250   0.16180   0.39000   0.05280
Wat4   0.19990   0.13500   0.01550   0.36000   0.05610
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
Te 0.01620 0.01640 0.01740 0.00480 0.00000 0.00000
Fe 0.02460 0.02460 0.01330 0.01230 0.00000 0.00000
Zn 0.02460 0.02460 0.01330 0.01230 0.00000 0.00000
Mn 0.02460 0.02460 0.01330 0.01230 0.00000 0.00000
Mg 0.01490 0.01490 0.01830 0.00745 0.00000 0.00000
O1 0.01600 0.01940 0.02120 0.00510 0.00000 0.00000
O2 0.02680 0.02470 0.02540 0.00740 0.00100 0.00510
Wat3 0.05290 0.03740 0.05370 0.01170 -0.00080 0.00020
Wat4 0.03600 0.05560 0.06000 0.01040 0.00620 0.00530