data_global
_chemical_name_mineral 'Adamite'
loop_
_publ_author_name
'Hill R J'
_journal_name_full 'American Mineralogist'
_journal_volume 61 
_journal_year 1976
_journal_page_first 979
_journal_page_last 986
_publ_section_title
;
 The crystal structure and infrared properties of adamite
;
_database_code_amcsd 0000532
_chemical_formula_sum 'As Zn2 O5 H'
_cell_length_a 8.306
_cell_length_b 8.524
_cell_length_c 6.043
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 427.846
_exptl_crystal_density_diffrn      4.451
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-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
As   0.25048   0.24394   0.50000
Zn1   0.00000   0.00000   0.24737
Zn2   0.13482   0.36423   0.00000
O1   0.07600   0.14470   0.50000
O2   0.10790   0.12680   0.00000
O3   0.39600   0.10630   0.50000
O4   0.26850   0.36150   0.27780
H   0.20000   0.13000   0.00000
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
As 0.00633 0.00291 0.00529 -0.00050 0.00000 0.00000
Zn1 0.01849 0.00957 0.00575 -0.00570 0.00000 0.00000
Zn2 0.00933 0.00471 0.00821 -0.00004 0.00000 0.00000
O1 0.01083 0.00773 0.00444 -0.00323 0.00000 0.00000
O2 0.01223 0.00405 0.01092 0.00036 0.00000 0.00000
O3 0.01153 0.00294 0.02331 -0.00072 0.00000 0.00000
O4 0.01433 0.01031 0.00722 -0.00359 -0.00153 0.00287