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 moc6
;
_database_code_amcsd 0006591
_chemical_compound_source 'Moctezuma Mine, Moctezuma, Sonora, Mexico'
_chemical_formula_sum 'Te3 (Fe1.1 Zn.82 Mn.08) Mg.45 O13.08 H8.16'
_cell_length_a 9.404
_cell_length_b 9.404
_cell_length_c 7.636
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 584.819
_exptl_crystal_density_diffrn      4.149
_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   0.49643   0.45580   0.25000   1.00000   0.01310
Fe   0.33333   0.66667   0.05958   0.55000   0.01430
Zn   0.33333   0.66667   0.05958   0.41000   0.01430
Mn   0.33333   0.66667   0.05958   0.04000   0.01430
Mg   0.00000   0.00000   0.17100   0.22500   0.02020
O1   0.16140   0.50510   0.25000   1.00000   0.01360
O2   0.49080   0.14210   0.07040   1.00000   0.02230
Wat3   0.06180   0.18890   0.15990   0.35000   0.06150
Wat4   0.19840   0.12660   0.01610   0.33000   0.06650
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 0.01260 0.01310 0.01080 0.00420 0.00000 0.00000
Fe 0.01800 0.01800 0.00690 0.00900 0.00000 0.00000
Zn 0.01800 0.01800 0.00690 0.00900 0.00000 0.00000
Mn 0.01800 0.01800 0.00690 0.00900 0.00000 0.00000
Mg 0.01880 0.01880 0.02310 0.00940 0.00000 0.00000
O1 0.00970 0.01310 0.01420 0.00280 0.00000 0.00000
O2 0.02270 0.02030 0.01730 0.00570 0.00110 0.00480
Wat3 0.07120 0.04480 0.05440 0.01840 -0.00380 -0.00270
Wat4 0.02940 0.08430 0.06480 0.01260 0.00540 0.00660