data_global
_chemical_name_mineral 'ODanielite'
loop_
_publ_author_name
'Keller P'
'Hess H'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1988 
_journal_year 1988
_journal_page_first 395
_journal_page_last 404
_publ_section_title
;
 Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3,
 und johillerit, Na(Mg,Zn)3Cu(AsO4)3
;
_database_code_amcsd 0014829
_chemical_compound_source 'Tsumeb, Namibia'
_chemical_formula_sum 'Na Zn2.6 Mg.4 As3 O12 H2'
_cell_length_a 12.113
_cell_length_b 12.445
_cell_length_c 6.793
_cell_angle_alpha 90
_cell_angle_beta 112.87
_cell_angle_gamma 90
_cell_volume 943.520
_exptl_crystal_density_diffrn      4.375
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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'
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
Na   0.00000   0.00960   0.25000   1.00000   0.03027
Zn1   0.50000   0.21930   0.25000   0.60000   0.01381
Mg1   0.50000   0.21930   0.25000   0.40000   0.01381
Zn2   0.29260   0.34120   0.37960   1.00000   0.01077
As1   0.00000   0.30950   0.25000   1.00000   0.00836
As2   0.22070   0.11490   0.11440   1.00000   0.00735
O1   0.35060   0.49670   0.40330   1.00000   0.01178
O2   0.36960   0.09240   0.16570   1.00000   0.01596
O3   0.11410   0.39410   0.26810   1.00000   0.01267
O4   0.34620   0.32320   0.12430   1.00000   0.01089
O5   0.21220   0.18780   0.31610   1.00000   0.00975
O6   0.03430   0.23460   0.47220   1.00000   0.01089
H   0.12220   0.50670   0.80120   1.00000 ?