#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/01/1100125.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_1100125
loop_
_publ_author_name
'Ito, T'
'West, J'
_publ_section_title
;
The Structure of Hemimorphite (H2 Zn2 Si O5)
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              1
_journal_page_last               8
_journal_volume                  83
_journal_year                    1932
_chemical_compound_source        'from Altenberg, Harz, Germany'
_chemical_formula_structural     'Zn4 (O H)2 (H2 O) (Si2 O7)'
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_mineral           Hemimorphite
_chemical_name_systematic        'Tetrazinc dihydroxide hydrate disilicate *'
_space_group_IT_number           44
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   8.38
_cell_length_b                   10.7
_cell_length_c                   5.11
_cell_volume                     458.2
_exptl_crystal_density_meas      3.45
_cod_duplicate_entry             1011257
_cod_database_code               1100125
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,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+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Si1 Si4+ 4 d 0. 0.16 0. 1. 0 d
Zn1 Zn2+ 8 e 0.3 0.342 0.01 1. 0 d
O1 O2- 2 a 0. 0. 0. 1. 0 d
O2 O2- 8 e 0.161 0.187 0.85 1. 0 d
O3 O2- 4 d 0. 0.187 0.305 1. 0 d
O4 O2- 4 c 0.25 0.5 0.85 1. 1 d
O5 O2- 2 b 0. 0.5 0.35 1. 2 d
H1 H1+ 8 e -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4.000
Zn2+ 2.000
O2- -2.000
H1+ 1.000
