#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1010925.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010925
_chemical_name_systematic          'Zinc arsenate hydroxide'
_chemical_name_mineral             'Adamite'
_chemical_compound_source          'from Laurion, Greece'
_chemical_formula_structural       'Zn2 (As O4) (O H)'
_chemical_formula_sum              'H As O5 Zn2'
_publ_section_title                'Ueber die Struktur von Adamin.'
_publ_author_name                  'Kokkoros, P'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    96
_journal_year                      1937
_journal_page_first                417
_journal_page_last                 434
_cell_length_a                     8.31
_cell_length_b                     8.51
_cell_length_c                     6.06
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       428.6
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.48
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,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'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  As5+   5.000
  Zn2+   2.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  As1   As5+   4 g 0.244 0.244 0. 1.  0 d
  Zn1   Zn2+   4 g 0.369 0.361 0.5 1.  0 d
  Zn2   Zn2+   4 f 0.5 0. 0.25 1.  0 d
  O1    O2-    4 g 0.105 0.116 0. 1.  0 d
  O2    O2-    4 g 0.403 0.139 0. 1.  0 d
  O3    O2-    4 g 0.403 0.139 0.5 1.  1 d
  O4    O2-    8 h 0.236 0.361 0.25 1.  0 d
  H1    H1+    4 g -1. -1. -1. 1.  0 dum