data_global
_chemical_name_mineral 'Namuwite'
loop_
_publ_author_name
'Groat L A'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 238
_journal_page_last 243
_publ_section_title
;
 The crystal structure of namuwite, a mineral with Zn in
 tetrahedral and octahedral coordination, and its relationship
 to the synthetic basic zinc sulfates
 Note: U(1,2) for S has been changed to match symmetry constraints.
;
_database_code_amcsd 0001775
_chemical_formula_sum 'Zn4 S O14 H14'
_cell_length_a 8.330
_cell_length_b 8.330
_cell_length_c 10.540
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 633.375
_exptl_crystal_density_diffrn      2.788
_symmetry_space_group_name_H-M 'P -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn1   0.00000   0.00000   0.16720 ?
Zn2   0.13180   0.71340   0.00060 ?
S   0.66667   0.33333   0.27680 ?
O1   0.66667   0.33333   0.14290   0.02420
O2   0.82820   0.50070   0.32390   0.06260
O-H1  -0.37300   0.10830  -0.08610   0.02160
O-H2  -0.18910   0.06090   0.11690   0.02940
Wat1   0.00000   0.00000   0.35190   0.06450
Wat2   0.71730   0.10770   0.60310   0.17900
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
Zn1 0.01380 0.01380 0.06210 0.00690 0.00000 0.00000
Zn2 0.00880 0.00780 0.06690 0.00280 -0.00090 -0.00090
S 0.02710 0.02710 0.05570 0.01355 0.00000 0.00000