#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/99/9009926.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_9009926
loop_
_publ_author_name
'Balko, V. P.'
'Bakakin, V. V.'
_publ_section_title
;
 Crystal-structure of natural yttrium and rare-earth fluorotitano-silicate
 (Y,Ree)4(F,OH)6TiO[SiO4]2 (yftisite)
;
_journal_name_full               'Zhurnal Strukturnoi Khimii'
_journal_page_first              837
_journal_page_last               842
_journal_volume                  16
_journal_year                    1975
_chemical_formula_sum            'F6 O9 Si2 Ti Y4'
_chemical_name_mineral           Yftisite-(Y)
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.949
_cell_length_b                   10.626
_cell_length_c                   7.043
_cell_formula_units_Z            4
_cell_volume                     1118.767
_database_code_amcsd             0015895
_exptl_crystal_density_diffrn    4.261
_cod_original_formula_sum        'Y4 Ti Si2 O9 F6'
_cod_database_code               9009926
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Y1 0.14640 0.43680 0.25000 0.01520
Y2 0.13130 0.79330 0.25000 0.01267
Ti 0.00000 0.00000 0.50000 0.01646
Si 0.15590 0.12000 0.25000 0.00253
O1 0.09540 0.12620 0.05530 0.01267
O2 0.29520 0.48540 0.25000 0.00887
O3 0.22010 0.24870 0.25000 0.00887
O4 0.50000 0.43370 0.25000 0.00887
F1 0.35820 0.11810 0.06100 0.01140
F2 0.00000 0.42040 0.25000 0.05319
F3 0.00000 0.69870 0.25000 0.02406
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015895
