#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/19/9001905.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_9001905
loop_
_publ_author_name
'Giester, G.'
'Ni, Y.'
'Jarosch, D.'
'Hughes, J. M.'
'Ronsbo, J. G.'
'Yang, Z.'
'Zemann, J.'
_publ_section_title
;
 Cordylite-(Ce): A crystal chemical investigation of material from four
 localities, including type material
 Sample: from Narssarssuk, Greenland, determined by the Miami group,
 refinement based on F
;
_journal_name_full               'American Mineralogist'
_journal_page_first              178
_journal_page_last               184
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'C4 Ba Ce2 F Na O12'
_chemical_name_mineral           Cordylite-(Ce)
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.09155
_cell_length_b                   5.09155
_cell_length_c                   23.070
_cell_formula_units_Z            2
_cell_volume                     517.939
_database_code_amcsd             0001965
_exptl_crystal_density_diffrn    4.486
_cod_original_formula_sum        'Ba Ce2 Na F C4 O12'
_cod_database_code               9001905
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-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
Ba 0.00000 0.00000 0.00000 0.02400
Ce 0.33333 0.66667 0.35351 0.00930
Na 0.33333 0.66667 0.75000 0.02000
F 0.33333 0.66667 0.25000 0.02700
C1 0.00000 0.00000 0.68020 0.01200
C2 0.66667 0.33333 0.43260 0.01100
O1 0.14480 0.28960 0.67610 0.01400
O2 0.52100 0.04200 0.43500 0.01900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001965
