#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/10/9011018.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011018
loop_
_publ_author_name
'Giglio, M.'
_publ_section_title
;
 Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit)
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              789
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X5800222X
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Na2 O12 S2 Zn'
_chemical_name_mineral           Changoite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.05
_cell_length_b                   8.23
_cell_length_c                   5.54
_cell_volume                     495.251
_database_code_amcsd             0009212
_exptl_crystal_density_diffrn    2.518
_cod_original_formula_sum        'Zn Na2 S2 O12 H8'
_cod_database_code               9011018
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
Zn 0.00000 0.00000 0.00000 0.00426 Zn 0
Na 0.36200 0.06500 0.12800 0.00426 Na 0
S 0.13400 0.29400 0.37400 0.00426 S 0
O1 0.27200 0.26700 0.34400 0.00426 O 0
O2 0.07800 0.40700 0.17800 0.00426 O 0
O3 0.07200 0.12600 0.31500 0.00426 O 0
O4 0.12600 0.32000 0.64800 0.00426 O 0
Wat1 0.15800 0.04100 0.87000 0.00426 O 2
Wat2 0.42600 0.28200 0.78400 0.00426 O 2
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:52:50+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009212
