data_global
_chemical_name_mineral 'Zincomenite'
loop_
_publ_author_name
'Bensch W'
'Gunther J R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 174 
_journal_year 1986
_journal_page_first 291
_journal_page_last 295
_publ_section_title
;
 The crystal structure of beta-zinc selenite
;
_database_code_amcsd 0020210
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Zn Se O3'
_cell_length_a 7.188
_cell_length_b 6.225
_cell_length_c 11.976
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 535.870
_exptl_crystal_density_diffrn      4.768
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-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_U_iso_or_equiv
Zn   0.60740   0.36480   0.59570   0.01000
Se   0.54450   0.38820   0.85750   0.00800
O1   0.65180   0.01540   0.59320   0.01200
O2   0.53110   0.33980   0.43450   0.01400
O3   0.46570   0.29800   0.73400   0.01200
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
Zn 0.01400 0.00900 0.00800 0.00200 -0.00100 0.00100
Se 0.01000 0.00600 0.00700 0.00000 -0.00100 0.00000
O1 0.01200 0.01100 0.01300 -0.00400 -0.00200 0.00100
O2 0.02700 0.00600 0.00900 -0.00400 0.00300 -0.00300
O3 0.01800 0.00800 0.01100 0.00000 0.00000 0.00300