#------------------------------------------------------------------------------
#$Date: 2018-08-07 05:41:57 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209417 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549774.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_1549774
loop_
_publ_author_name
'Takeuchi, Y.'
'Sasaki, S.'
'Joswig, W.'
'Fuess, H.'
_publ_section_title
;
 X-ray and neutron diffraction study of hemimorphite : XRD 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      300
_cod_data_source_file            hemimorphite-Takeuchi-XRD.cif
_cod_data_source_block           hemimorphite_XRD
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549774
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(3) 0.16124(2) 0.000000 Uiso 0.009700 Zn
Si 1.0 0.000000 0.14630(8) 0.5097(4) Uiso 0.005633 Si
O1 1.0 0.1601(2) 0.2052(2) 0.6365(4) Uiso 0.012167 O
O2 1.0 0.000000 0.1670(4) 0.1943(5) Uiso 0.008133 O
O3 1.0 0.3057(4) 0.000000 0.0405(9) Uiso 0.020800 O
O4 1.0 0.000000 0.000000 0.5918(9) Uiso 0.013067 O
O5 1.0 0.500000 0.0225(14) 0.5197(39) Uiso 0.048933 O
