#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010925.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
loop_
_publ_author_name
'Kokkoros, P'
_publ_section_title              'Ueber die Struktur von Adamin.'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              417
_journal_page_last               434
_journal_volume                  96
_journal_year                    1937
_chemical_compound_source        'from Laurion, Greece'
_chemical_formula_structural     'Zn2 (As O4) (O H)'
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_mineral           Adamite
_chemical_name_systematic        'Zinc arsenate hydroxide'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.31
_cell_length_b                   8.51
_cell_length_c                   6.06
_cell_volume                     428.6
_exptl_crystal_density_meas      4.48
_cod_original_formula_sum        'H As O5 Zn2'
_cod_database_code               1010925
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
As5+ 5.000
Zn2+ 2.000
O2- -2.000
H1+ 1.000
