data_global
_chemical_name_mineral 'Nataliyamalikite'
loop_
_publ_author_name
'Okrugin V'
'Favero M'
'Liu A'
'Etschmann B'
'Plutachina E'
'Mills S'
'Tomkins A G'
'Lukasheva M'
'Kozlov V'
'Moskaleva S'
'Chubarov M'
'Brugger J'
_journal_name_full 'American Mineralogist'
_journal_volume 102 
_journal_year 2017
_journal_page_first 1736
_journal_page_last 1746
_publ_section_title
;
 Smoking gun for thallium geochemistry in volcanic arcs:
 Nataliyamalikite, TlI, a new thallium mineral from an active
 fumarole at Avacha Volcano, Kamchatka Peninsula, Russia
 Note: T = 100 (2) K
;
_database_code_amcsd 0020981
_chemical_compound_source 'Avacha Volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum 'Tl (I.95 Br.03 Cl.02)'
_cell_length_a 4.5670
_cell_length_b 12.803
_cell_length_c 5.202
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.168
_exptl_crystal_density_diffrn      7.164
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+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
Tl   0.50000   0.60605   0.75000   1.00000
I   0.50000   0.86433   0.75000   0.95000
Br   0.50000   0.86433   0.75000   0.03000
Cl   0.50000   0.86433   0.75000   0.02000
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
Tl 0.02000 0.01730 0.01900 0.00000 0.00000 0.00000
I 0.01670 0.01480 0.01720 0.00000 0.00000 0.00000
Br 0.01670 0.01480 0.01720 0.00000 0.00000 0.00000
Cl 0.01670 0.01480 0.01720 0.00000 0.00000 0.00000