data_global
_chemical_name_mineral 'Reinerite'
loop_
_publ_author_name
'Ghose S'
'Boving P'
'LaChapelle W A'
'Wan C'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 1129
_journal_page_last 1134
_publ_section_title
;
 Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral
 double chain
;
_database_code_amcsd 0000602
_chemical_formula_sum 'Zn3 As2 O6'
_cell_length_a 6.092
_cell_length_b 14.407
_cell_length_c 7.811
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 685.551
_exptl_crystal_density_diffrn      4.283
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1   0.00000   0.50000   0.31453
Zn2   0.56494   0.77908   0.78434
As1   0.91312   0.87436   0.50000
As2   0.22305   0.90126   0.00000
O1   0.33040   0.06080   0.50000
O2   0.33490   0.28070   0.00000
O3   0.15190   0.19970   0.32620
O4   0.09040   0.39650   0.17360
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 0.02352 0.01041 0.00779 -0.00027 0.00000 0.00000
Zn2 0.01512 0.01304 0.01116 0.00009 -0.00140 -0.00051
As1 0.01472 0.01188 0.00921 -0.00116 0.00000 0.00000
As2 0.01592 0.01062 0.01035 0.00289 0.00000 0.00000
O1 0.02452 0.01567 0.01088 0.00703 0.00000 0.00000
O2 0.02074 0.01304 0.01045 0.00378 0.00000 0.00000
O3 0.01579 0.02292 0.01651 0.00258 0.00128 0.00924
O4 0.02580 0.01030 0.01409 -0.00191 0.00851 -0.00239