#------------------------------------------------------------------------------
#$Date: 2022-02-11 13:15:48 +0200 (Fri, 11 Feb 2022) $
#$Revision: 272928 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566343.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_1566343
loop_
_publ_author_name
'Okamoto, K.'
'Kuribayashi, T.'
'Nagase, T.'
_publ_section_title
;
 Modulated structure of hemimorphite associated with pressure-induced
 phase transition
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              251
_journal_page_last               262
_journal_paper_doi               10.2465/jmps.210731
_journal_volume                  116
_journal_year                    2021
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            Zn4[Si2O7](OH)2H2O
_chemical_name_mineral           hemimorphite
_space_group_IT_number           44
_space_group_name_Hall           'I 2 -2'
_space_group_name_H-M_alt        'I m m 2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   8.368(2)
_cell_length_b                   10.724(3)
_cell_length_c                   5.1121(13)
_cell_volume                     458.8(2)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            hemimorphite-1bar.cif
_cod_data_source_block           hemimorphite-1bar
_cod_original_cell_volume        458.751850
_cod_original_formula_sum        'Zn4 Si2 O10 H4'
_cod_database_code               1566343
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 x,-y,z
4 -x,y,z
5 x+1/2,y+1/2,z+1/2
6 -x+1/2,-y+1/2,z+1/2
7 x+1/2,-y+1/2,z+1/2
8 -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_U_iso_or_equiv
_atom_site_type_symbol
Zn 1.0 0.20457(2) 0.16117(2) 0.000000 Uani 0.01039(5) Zn
Si 1.0 0.000000 0.14627(5) 0.5067(2) Uani 0.00732(8) Si
O1 1.0 0.16021(17) 0.20545(13) 0.6360(3) Uani 0.01290(19) O
O2 1.0 0.000000 0.16655(19) 0.1940(4) Uani 0.0121(3) O
O3 1.0 0.3052(3) 0.000000 0.0405(6) Uani 0.0210(6) O
O4 1.0 0.000000 0.000000 0.5913(6) Uani 0.0141(4) O
O5 1.0 0.500000 0.000000 0.5188(18) Uani 0.076(3) O
