#------------------------------------------------------------------------------
#$Date: 2017-10-06 18:24:22 +0200 (Fri 06 de Oct de 2017) $
#$Revision: 201816 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/48/9014812.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_9014812
loop_
_publ_author_name
'Valéro, R.'
'Paillaud, J. L.'
'Durand, B.'
'Guth, J. L.'
'Chopin, T.'
_publ_section_title
;
 Rietveld refinement of two fluoro-hydroxy-zircons
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   10-11
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              735
_journal_page_last               743
_journal_paper_doi               10.1016/S0992-4361(99)80013-7
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'F1.8 O2.2 Si0.305 Zr'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.64025(3)
_cell_length_b                   6.64025(3)
_cell_length_c                   5.92625(6)
_cell_volume                     261.306
_database_code_amcsd             0012624
_exptl_crystal_density_diffrn    4.301
_cod_duplicate_entry             1004026
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Zr Si.305 (O2.2 F1.8)'
_cod_database_code               9014812
_amcsd_formula_title             'F1.8 H0.98 O2.2 Si0.305 Zr'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,1/4+z
3/4-y,1/4-x,3/4+z
1/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/2+x,-y,1/2+z
+x,1/2-y,+z
1/2-x,y,1/2-z
-x,1/2+y,-z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,3/4+z
3/4+y,3/4+x,1/4+z
1/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zr1 0.00000 0.75000 0.12500 1.00000
Si1 0.00000 0.75000 0.62500 0.30500
O1 0.00000 0.06300 0.19038 0.55000
F1 0.00000 0.06300 0.19038 0.45000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012624
