#------------------------------------------------------------------------------
#$Date: 2022-05-09 03:06:09 +0300 (Mon, 09 May 2022) $
#$Revision: 275235 $
#$URL: file:///home/coder/svn-repositories/cod/cif/3/00/00/3000048.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_3000048
loop_
_publ_author_name
'Conterosito, Eleonora'
'Palin, Luca'
'Antonioli, Diego'
'Viterbo, Davide'
'Mugnaioli, Enrico'
'Kolb, Ute'
'Perioli, Luana'
'Milanesio, Marco'
'Gianotti, Valentina'
_publ_section_title
;
 Structural Characterisation of Complex Layered Double Hydroxides and
 TGA-GC-MS Study on Thermal Response and Carbonate Contamination in
 Nitrate- and Organic-Exchanged Hydrotalcites
;
_journal_coden_ASTM              CEUJED
_journal_issue                   42
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              14975
_journal_page_last               14986
_journal_paper_doi               10.1002/chem.201500450
_journal_volume                  21
_journal_year                    2015
_chemical_formula_sum            'Al0.84 N1.69 O35.24 Zn2.16'
_chemical_name_mineral           'Hydrotalcite polytype_3R1'
_chemical_name_systematic        'Zinc Aluminum Hydroxide Nitrate Hydrate'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.080972
_cell_length_b                   3.080972
_cell_length_c                   26.778308
_cell_volume                     220.135
_journal_article_reference       'Chem. Eur. J. 2015, 21, 14975-14986'
_cod_data_source_file            LDH_NO3.cif
_cod_data_source_block           publication_text
_cod_depositor_comments
'Releasing structure 3000048 into public domain as published material.'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               3000048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, -z '
'-x+y, -x, z '
'-x+y, y, z '
'-y, -x, z '
'-y, x-y, z '
'y, -x+y, -z '
'y, x, -z '
'x-y, -y, -z '
'x-y, x, -z '
'-x, -x+y, -z '
'x, x-y, z '
'x-1/3, y+1/3, z+1/3 '
'-x-1/3, -y+1/3, -z+1/3 '
'-x+y-1/3, -x+1/3, z+1/3 '
'-x+y-1/3, y+1/3, z+1/3 '
'-y-1/3, -x+1/3, z+1/3 '
'-y-1/3, x-y+1/3, z+1/3 '
'y-1/3, -x+y+1/3, -z+1/3 '
'y-1/3, x+1/3, -z+1/3 '
'x-y-1/3, -y+1/3, -z+1/3 '
'x-y-1/3, x+1/3, -z+1/3 '
'-x-1/3, -x+y+1/3, -z+1/3 '
'x-1/3, x-y+1/3, z+1/3 '
'x+1/3, y-1/3, z-1/3 '
'-x+1/3, -y-1/3, -z-1/3 '
'-x+y+1/3, -x-1/3, z-1/3 '
'-x+y+1/3, y-1/3, z-1/3 '
'-y+1/3, -x-1/3, z-1/3 '
'-y+1/3, x-y-1/3, z-1/3 '
'y+1/3, -x+y-1/3, -z-1/3 '
'y+1/3, x-1/3, -z-1/3 '
'x-y+1/3, -y-1/3, -z-1/3 '
'x-y+1/3, x-1/3, -z-1/3 '
'-x+1/3, -x+y-1/3, -z-1/3 '
'x+1/3, x-y-1/3, z-1/3 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Zn1 Zn 3 1 1 0 0.719(6) 0
Al1 Al 3 1 1 0 0.281(6) 1
O1 O 6 0.6666667 0.3333333 -0.04432 1 2
O2 O 6 0.3333333 0.6666667 -0.09597 0.281(6) 4
N2 N 6 0.3333333 0.6666667 -0.14311 0.281(6) 4
O3 O 18 0.6666667 0.6666667 -0.1666667 0.093(2) 4
O5 O 36 1.36003 -0.00237 0.19905 0.719(6) 6
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-05-09T03:05:00+03:00
'Updated bibliographic information.'
