#------------------------------------------------------------------------------
#$Date: 2018-06-05 19:03:11 +0300 (Tue, 05 Jun 2018) $
#$Revision: 208140 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/95/1549517.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_1549517
loop_
_publ_author_name
'Seryotkin, Y.V.'
'Bakakin, V.V.'
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite @ 2.44 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 2.44 GPa'
_chemical_name_mineral           'hemimorphite at 2.44 GPa'
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2209(9)
_cell_length_b                   10.6920(15)
_cell_length_c                   5.0614(2)
_cell_volume                     444.89(8)
_diffrn_ambient_pressure         2.44E+6
_cod_data_source_file            hemimorphite-I-2.44GPa.cif
_cod_data_source_block           hemimorphite-2.44GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549517
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_U_iso_or_equiv
_atom_site_type_symbol
Zn1 1.0 0.20805(6) 0.15841(6) 0.000000 Uiso 0.0113(3) Zn
Si1 1.0 0.000000 0.14475(19) 0.5090(8) Uiso 0.0075(5) Si
O1 1.0 0.1617(5) 0.2055(6) 0.6346(9) Uiso 0.0171(12) O
O2 1.0 0.000000 0.1614(7) 0.1919(10) Uiso 0.0156(17) O
O3 1.0 0.3152(9) 0.000000 0.0458(14) Uiso 0.021(2) O
H3 1.0 0.39(2) 0.000000 0.21(3) Uiso 0.13(10) H
O4 1.0 0.000000 0.000000 0.6013(15) Uiso 0.018(2) O
Ow5 1.0 0.500000 0.000000 0.525(4) Uiso 0.073(5) O
