data_global
_chemical_name_mineral 'Ekatite'
loop_
_publ_author_name
'Keller P'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 769
_journal_page_last 777
_publ_section_title
;
 Ekatite, (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2, a new mineral
 from Tsumeb, Namibia, and its crystal structure
;
_database_code_amcsd 0006895
_chemical_compound_source 'Tsumeb, Namibia'
_chemical_formula_sum 'Fe5.07 Zn.9 As2.268 Si.246 O15.246 H9.492'
_cell_length_a 12.773
_cell_length_b 12.773
_cell_length_c 5.051
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 713.664
_exptl_crystal_density_diffrn      3.594
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,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
FeM1   0.91549   0.57285   0.59350   0.50800   0.01070
FeM2   0.91549   0.57285   0.59350   0.33700   0.01070
ZnM2   0.91549   0.57285   0.59350   0.15000   0.01070
As1   0.71631   0.85816   0.62460   0.50000   0.00770
As2   0.66667   0.33333   0.89500   0.76800   0.00710
Si2   0.66667   0.33333   0.83700   0.24600   0.00770
O1   0.60480   0.80240   0.88600   1.00000   0.01850
O2   0.65590   0.93390   0.43700   1.00000   0.01250
O3   0.59680   0.19360   0.72300   1.00000   0.02160
O-H4   0.04900   0.52450   0.77800   1.00000   0.01290
O-H5   0.66667   0.33333   0.16600   0.24600   0.00940
H1   0.01000   0.50200   0.60000   1.00000 ?
H2   0.66667   0.33333   0.38810   0.24600 ?
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
FeM1 0.01270 0.00980 0.01010 0.00590 -0.00020 0.00080
FeM2 0.01270 0.00980 0.01010 0.00590 -0.00020 0.00080
ZnM2 0.01270 0.00980 0.01010 0.00590 -0.00020 0.00080
As1 0.00750 0.00700 0.00850 0.00380 -0.00050 -0.00020
As2 0.00740 0.00740 0.00640 0.00370 0.00000 0.00000
Si2 0.00760 0.00760 0.02020 0.00380 0.00000 0.00000
O1 0.01640 0.02520 0.01090 0.00820 0.00540 0.00270
O2 0.01870 0.00760 0.01270 0.00760 -0.00610 -0.00110
O3 0.02150 0.00430 0.03340 0.00210 -0.00350 -0.00700
O-H4 0.01040 0.01170 0.01630 0.00520 0.00400 0.00200