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#$Date: 2017-01-18 13:03:15 +0200 (Wed, 18 Jan 2017) $
#$Revision: 190651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010549.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_1010549
loop_
_publ_author_name
'K\^ozu, Shukusuk\'e'
'Takan\'e, Katsutoshi'
_publ_section_title
;
 Crystal structure of Cancrinite from D\^od\^o, Korea, II
;
_journal_coden_ASTM              PIATA8
_journal_issue                   3
_journal_name_full               'Proceedings of the Imperial Academy (Tokyo)'
_journal_page_first              105
_journal_page_last               108
_journal_paper_doi               10.2183/pjab1912.9.105
_journal_volume                  9
_journal_year                    1933
_chemical_compound_source        'from Dodo, Korea'
_chemical_formula_structural     '(Na Al Si O4)3 Ca C O3'
_chemical_formula_sum            'Al3 Ca Na3 O15 Si3'
_chemical_name_mineral           Cancrinite
_chemical_name_systematic
;
Trisodium calcium trialuminium tris(silicate) carbonate
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.72
_cell_length_b                   12.72
_cell_length_c                   5.18
_cell_volume                     725.8
_exptl_crystal_density_meas      2.44
_cod_depositor_comments
;
 Correcting a mistake in the _atom_site_* loop by adding correct
 values for the 'O(V)' atom.

 Antanas Vaitkus,
 2017-01-18
;
_cod_database_code               1010549
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca Ca 0.67 0.33 -0.14
C C 0.67 0.33 0.36
Na(I) Na 0.50 0.50 0.22
Na(II) Na 0.50 0.50 -0.28
Si Si 0.33 0.26 0.26
Al Al 0.26 0.23 0.24
O(I) O 0.05 0.36 0.01
O(II) O 0.36 0.32 -0.03
O(III) O 0.17 0.27 0.26
O(VI) O -0.13 0.16 0.24
O(V) O 0.20 0.64 0.36
loop_
_citation_author_citation_id
_citation_author_name
1 'K\^ozu, Shukusuk\'e'
1 'Takan\'e, Katsutoshi'
loop_
_citation_id
_citation_coordinate_linkage
_citation_journal_id_ASTM
_citation_journal_full
_citation_title
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_year
_citation_doi
1 yes PIATA8 'Proceedings of the Imperial Academy (Tokyo)'
'Crystal structure of Cancrinite from D\^od\^o, Korea, I' 9 2 56 59 1933
10.2183/pjab1912.9.56