data_global
_chemical_name_mineral 'Zemannite'
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 bam6
;
_database_code_amcsd 0006592
_chemical_compound_source 'Bambolla Mine, Moctezuma, Sonora, Mexico'
_chemical_formula_sum 'Te3 (Fe.98 Zn.84 Mn.18) Mg.51 O13.5 H9'
_cell_length_a 9.420
_cell_length_b 9.420
_cell_length_c 7.657
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 588.425
_exptl_crystal_density_diffrn      4.175
_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   0.49792   0.45713   0.25000   1.00000   0.01530
Fe   0.33333   0.66667   0.05963   0.49000   0.01730
Zn   0.33333   0.66667   0.05963   0.42000   0.01730
Mn   0.33333   0.66667   0.05963   0.09000   0.01730
Mg   0.00000   0.00000   0.16910   0.25500   0.02170
O1   0.16130   0.50530   0.25000   1.00000   0.01660
O2   0.48910   0.14150   0.07060   1.00000   0.02430
Wat3   0.06010   0.18980   0.16310   0.40000   0.05180
Wat4   0.19920   0.13170   0.01550   0.35000   0.05540
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 0.01370 0.01390 0.01500 0.00430 0.00000 0.00000
Fe 0.02020 0.02020 0.01130 0.01010 0.00000 0.00000
Zn 0.02020 0.02020 0.01130 0.01010 0.00000 0.00000
Mn 0.02020 0.02020 0.01130 0.01010 0.00000 0.00000
Mg 0.01690 0.01690 0.03150 0.00845 0.00000 0.00000
O1 0.01040 0.01660 0.01800 0.00300 0.00000 0.00000
O2 0.02180 0.02240 0.02210 0.00610 0.00190 0.00460
Wat3 0.05090 0.03780 0.05590 0.01400 -0.00280 -0.00220
Wat4 0.02600 0.05950 0.06680 0.01090 0.00590 0.00620