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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008437.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_9008437
loop_
_publ_author_name
'Hejny, C.'
'Armbruster, T.'
_publ_section_title
;
 Polytypism in xonotlite Ca6Si6O17(OH)2
 Note: polytype derived from structure in Kudoh and Takeuchi (1979)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              396
_journal_page_last               408
_journal_paper_doi               10.1524/zkri.216.7.396.20363
_journal_volume                  216
_journal_year                    2001
_chemical_compound_source
'model structure, not experimentally determined'
_chemical_formula_sum            'Ca6 O19 Si6'
_chemical_name_mineral           Xonotlite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.36
_cell_angle_gamma                90
_cell_length_a                   17.032
_cell_length_b                   7.363
_cell_length_c                   14.023
_cell_formula_units_Z            4
_cell_volume                     1758.542
_database_code_amcsd             0011088
_exptl_crystal_density_diffrn    2.693
_cod_original_formula_sum        'Ca6 Si6 O19'
_cod_database_code               9008437
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.27300 0.87550 0.75230
Ca2 0.06680 0.13110 0.66840
Ca3 0.06930 0.61910 0.67070
Si1 0.10590 0.16410 0.38410
Si2 0.10590 0.58600 0.38430
Si3 0.15910 0.87520 0.52810
O1 0.25000 0.37500 0.00000
O2 0.10950 0.37560 0.42110
O3 0.17560 0.63010 0.30960
O4 0.17170 0.12010 0.30870
O5 0.11490 0.05420 0.48600
O6 0.11470 0.69650 0.48580
O7 0.02120 0.62760 0.33260
O8 0.02150 0.12230 0.33700
O9 0.14940 0.87590 0.63900
O10 0.14890 0.37370 0.63470
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011088
