#------------------------------------------------------------------------------
#$Date: 2016-11-19 08:56:19 +0200 (Sat, 19 Nov 2016) $
#$Revision: 188589 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544637.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_1544637
loop_
_publ_author_name
'Jinnouchi, S.'
'Yoshiasa, A.'
'Sugiyama, K.'
'Shimura, R.'
'Arima, H.'
'Momma, K.'
'Miyawaki, R.'
_publ_section_title
;
 Crystal structure refinements of legrandite, adamite, and paradamite: The
 complex structure and characteristic hydrogen bonding network of
 legrandite
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              35
_journal_page_last               43
_journal_volume                  111
_journal_year                    2016
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_common            Zn2AsO4(OH)
_chemical_name_mineral           paradamite
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.348(3)
_cell_angle_beta                 92.320(3)
_cell_angle_gamma                76.683(3)
_cell_formula_units_Z            2
_cell_length_a                   5.8438(5)
_cell_length_b                   6.7226(6)
_cell_length_c                   5.6566(4)
_cell_volume                     209.47(3)
_cod_data_source_file            paradamite.cif
_cod_data_source_block           paradamite
_cod_original_formula_sum        'Zn2 As H O5'
_cod_database_code               1544637
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_U_iso_or_equiv
_atom_site_type_symbol
Zn1 1.0 0.75038(7) 0.50070(7) 0.39302(7) Uiso 0.013624 Zn
Zn2 1.0 0.26443(7) 0.18683(6) 0.02106(7) Uiso 0.012148 Zn
As 1.0 0.75230(6) 0.27446(5) 0.83126(6) Uiso 0.008780 As
O1 1.0 0.0302(4) 0.1401(4) 0.7621(4) Uiso 0.013112 O
O2 1.0 0.6100(4) 0.1248(4) 0.9424(5) Uiso 0.013790 O
O3 1.0 0.6176(4) 0.3337(4) 0.5791(4) Uiso 0.013298 O
O4 1.0 0.2520(4) 0.4981(4) 0.9545(4) Uiso 0.010892 O
O5 1.0 0.1080(4) 0.3001(4) 0.3517(4) Uiso 0.012784 O
H 1.0 0.103(8) 0.190(7) 0.406(8) Uiso 0.019000 H
