#------------------------------------------------------------------------------
#$Date: 2018-08-07 05:14:04 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209416 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549773.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_1549773
loop_
_publ_author_name
'Takeuchi, Y.'
'Sasaki, S.'
'Joswig, W.'
'Fuess, H.'
_publ_section_title
;
 X-ray and neutron diffraction study of hemimorphite : Neutron result at
 room temperature
;
_journal_name_full               'Proceedings of the Japan Academy, Series B'
_journal_page_first              577
_journal_page_last               582
_journal_volume                  54
_journal_year                    1978
_chemical_formula_sum            'H2 O5 Si Zn2'
_chemical_name_common            hemimorphite
_chemical_name_mineral           hemimorphite
_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            4
_cell_length_a                   8.366(1)
_cell_length_b                   10.714(1)
_cell_length_c                   5.113(1)
_cell_volume                     458.30(11)
_diffrn_ambient_temperature      298
_cod_data_source_file            hemimorphite-Takeuchi-NDRT.cif
_cod_data_source_block           hemimorphite_ND_RT
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549773
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
Zn 1.0 0.20454(12) 0.16121(9) 0.000000 Uiso 0.009367 Zn
Si 1.0 0.000000 0.14636(17) 0.5076(4) Uiso 0.006400 Si
O1 1.0 0.16000(10) 0.20560(10) 0.6362(4) Uiso 0.011800 O
O2 1.0 0.000000 0.1669(2) 0.1932(3) Uiso 0.011233 O
O3 1.0 0.3050(2) 0.000000 0.0411(5) Uiso 0.020033 O
O4 1.0 0.000000 0.000000 0.5905(5) Uiso 0.013133 O
O5 1.0 0.500000 0.0245(5) 0.5168(12) Uiso 0.044167 O
H1 1.0 0.3739(7) 0.000000 0.1872(16) Uiso 0.058167 H
H2 1.0 0.5729(19) 0.001(231) 0.6379(42) Uiso 0.120000 H
