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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011853.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_9011853
loop_
_publ_author_name
'Cannillo, E.'
'Mazzi, F.'
'Rossi, G.'
_publ_section_title
;
 Crystal structure of gotzenite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              1026
_journal_page_last               1030
_journal_volume                  16
_journal_year                    1972
_chemical_compound_source        'Mount Shaheru, Republic of Congo'
_chemical_formula_sum            'Ca6 Na O18 Si4 Ti'
_chemical_name_mineral           Gotzenite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 101.05
_cell_angle_gamma                101.31
_cell_length_a                   9.667
_cell_length_b                   5.731
_cell_length_c                   7.334
_cell_formula_units_Z            1
_cell_volume                     390.740
_database_code_amcsd             0015555
_exptl_crystal_density_diffrn    3.024
_cod_original_formula_sum        'Ca6 Na Ti Si4 O18'
_cod_database_code               9011853
loop_
_space_group_symop_operation_xyz
x,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
Ca1 0.63890 0.21150 0.90970 0.00089
Ca2 0.98590 0.49550 0.24180 0.00722
Ca3 0.63050 0.22680 0.40750 0.00215
Na 0.00000 0.00000 0.50000 0.01532
Ti 0.00000 0.00000 0.00000 0.01178
Si1 0.71970 0.74750 0.64600 0.00937
Si2 0.72100 0.74710 0.21000 0.00342
O1 0.76200 0.78400 0.44300 0.02951
O2 0.61900 0.92700 0.67300 0.00025
O3 0.61400 0.92500 0.12700 0.01836
O4 0.63600 0.47200 0.66500 0.02647
O5 0.67500 0.46500 0.16200 0.01381
O6 0.87900 0.81900 0.77800 0.02178
O7 0.88100 0.83000 0.17100 0.01862
O8 0.88400 0.25600 0.96900 0.00355
O9 0.89000 0.31300 0.47500 0.00671
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015555
