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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/44/9004450.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_9004450
loop_
_publ_author_name
'Grice, J. D.'
'Chao, G. Y.'
_publ_section_title
;
 Horvathite-(Y), rare-earth fluorocarbonate, a new mineral
 species from Mont Saint-Hilaire, Quebec
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  35
_journal_year                    1997
_chemical_compound_source        'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum            'C F2 Na O3 Y'
_chemical_name_mineral           Horvathite-(Y)
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.959
_cell_length_b                   9.170
_cell_length_c                   6.301
_cell_formula_units_Z            4
_cell_volume                     402.092
_database_code_amcsd             0005523
_exptl_crystal_density_diffrn    3.467
_cod_original_formula_sum        'Na Y C O3 F2'
_cod_database_code               9004450
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Na 0.25000 0.21750 0.17110 0.02300
Y 0.75000 0.42143 -0.01305 0.00920
C 0.75000 0.05900 0.04010 0.01400
O1 0.25000 -0.18560 -0.13090 0.01900
O2 0.75000 0.45540 0.34210 0.02600
O3 0.25000 0.05080 -0.16250 0.02200
F 0.56070 0.63000 0.04200 0.01800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005523
