#------------------------------------------------------------------------------
#$Date: 2023-05-10 19:44:19 +0200 (Wed 10 de May de 2023) $
#$Revision: 283658 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/74/9007481.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_9007481
loop_
_publ_author_name
'Ghose, S.'
_publ_section_title
;
 The crystal structure of hydrozincite, Zn5(OH)6(CO3)2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1051
_journal_page_last               1057
_journal_paper_doi               10.1107/S0365110X64002651
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        'Goodsprings, Nevada, USA'
_chemical_formula_sum            'C2 H6 O12 Zn5'
_chemical_name_mineral           Hydrozincite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.833
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.62
_cell_length_b                   6.30
_cell_length_c                   5.42
_cell_volume                     462.661
_database_code_amcsd             0009288
_exptl_crystal_density_diffrn    3.941
_cod_original_formula_sum        'Zn5 C2 O12 H6'
_cod_database_code               9007481
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-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
Zn1 0.00000 0.00000 0.00000 0.00747 Zn 0
Zn2 0.00000 0.26300 0.50000 0.00709 Zn 0
Zn3 0.12900 0.50000 0.03800 0.00849 Zn 0
C 0.32200 0.50000 0.30900 0.01140 C 0
O1 0.42100 0.50000 0.31800 0.00874 O 0
O2 0.26600 0.50000 0.06900 0.01267 O 0
O3 0.27500 0.50000 0.50000 0.01140 O 0
O-H1 0.41000 0.00000 0.32400 0.01026 O 1
O-H2 0.07800 0.24500 0.19800 0.01026 O 1
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
;
2023-05-10T18:50:46+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 0009288
