#------------------------------------------------------------------------------
#$Date: 2018-08-07 05:06:28 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209415 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549772.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_1549772
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
 70 K
;
_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 at 70K'
_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      70
_cod_data_source_file            hemimorphite-Takeuchi-ND70K.cif
_cod_data_source_block           hemimorphite_ND_70K
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549772
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 0.2050(2) 0.16070(10) 0.000000 Uiso 0.006203 Zn
Si 1.0 0.000000 0.1456(3) 0.5084(7) Uiso 0.003687 Si
O1 1.0 0.1611(2) 0.2052(2) 0.6350(5) Uiso 0.008563 O
O2 1.0 0.000000 0.1642(2) 0.1935(5) Uiso 0.006113 O
O3 1.0 0.3082(2) 0.000000 0.0323(9) Uiso 0.017040 O
O4 1.0 0.000000 0.000000 0.5967(8) Uiso 0.006873 O
O5 1.0 0.500000 0.000000 0.5238(11) Uiso 0.025000 O
H1 1.0 0.3793(13) 0.000000 0.1829(29) Uiso 0.066547 H
H2 1.0 0.5809(13) 0.000000 0.6489(37) Uiso 0.071867 H
