#------------------------------------------------------------------------------
#$Date: 2016-11-27 09:18:21 +0200 (Sun, 27 Nov 2016) $
#$Revision: 188709 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544680.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_1544680
loop_
_publ_author_name
'Kato, T.'
'Miura, Y.'
_publ_section_title
;
 The crystal structures of adamite and paradamite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              320
_journal_page_last               328
_journal_volume                  8
_journal_year                    1977
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_common            Zn2(OH)AsO4
_chemical_name_mineral           adamite
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_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                   8.386(5)
_cell_length_b                   8.552(4)
_cell_length_c                   6.036(4)
_cell_volume                     432.9(4)
_cod_data_source_file            adamite_older.cif
_cod_data_source_block           adamite
_cod_original_formula_sum        'Zn2 As H O5'
_cod_database_code               1544680
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-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+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Zn1 1.0 0.000000 0.000000 0.2478(4) Biso 0.880000 Zn
Zn2 1.0 0.3674(2) 0.1366(2) 0.500000 Biso 0.590000 Zn
As 1.0 0.2503(2) 0.2582(2) 0.000000 Biso 0.470000 As
OH 1.0 0.394(2) 0.3760(10) 0.500000 Biso 0.960000 O
O2 1.0 0.424(2) 0.3570(10) 0.000000 Biso 0.910000 O
O3 1.0 0.104(2) 0.394(2) 0.000000 Biso 1.330000 O
O4 1.0 0.2310(10) 0.1414(9) 0.2230(10) Biso 1.090000 O
