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#$Date: 2016-01-09 14:53:20 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174225 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104494.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_8104494
loop_
_publ_author_name
'Cooper, B.J.'
'Ross, F.K.'
'Gibbs, G.V.'
_publ_section_title
;
 The effects of heating and dehydration on the crystal structure of
 hemimorphite up to 600 degrees C
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              305
_journal_page_last               321
_journal_volume                  156
_journal_year                    1981
_chemical_formula_sum            'H2 O9 Si2 Zn4'
_chemical_name_systematic        'Zn4 (Si2 O7) (O H)2'
_space_group_IT_number           44
_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                   8.268
_cell_length_b                   10.784
_cell_length_c                   5.113
_cell_volume                     455.886
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Cooper_ZEKRDZ_1981_1896.cif
_cod_data_source_block           H2O9Si2Zn4
_cod_original_cell_volume        455.8859
_cod_database_code               8104494
loop_
_symmetry_equiv_pos_as_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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 0 0.1436 0.5199 1 0.0
O4 O-2 0 0 0.6067 1 0.0
O3 O-2 0.3026 0 0.0557 1 0.0
O1 O-2 0.1607 0.2047 0.6461 1 0.0
O2 O-2 0 0.1662 0.2011 1 0.0
Zn1 Zn+2 0.2074 0.1594 0 1 0.0
