#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016030.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_9016030
loop_
_publ_author_name
'Zaitsev, A. N.'
'Chakhmouradian, A. R.'
'Siidra, O. I.'
'Spratt, J.'
'Williams, C. T.'
'Stanley, C. J.'
'Petrov, S. V.'
'Britvin, S. N.'
'Polyakova, E. A.'
_publ_section_title
;
 Fluorine-, yttrium- and lanthanide-rich cerianite-(Ce) from carbonatitic rocks of the
 Kerimasi volcano and surrounding explosion craters, Gregory Rift, northern Tanzania
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2813
_journal_page_last               2822
_journal_paper_doi               10.1180/minmag.2011.075.6.2813
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Gregory Rift, northern Tanzania'
_chemical_formula_sum
'Ce0.62 Dy0.02 Er0.01 F0.24 Gd0.02 La0.03 Nd0.06 O1.68 Pr0.01 Sm0.01 Y0.2 Yb0.02'
_chemical_name_mineral           Cerianite-(Ce)
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4203
_cell_length_b                   5.4203
_cell_length_c                   5.4203
_cell_volume                     159.247
_database_code_amcsd             0018569
_exptl_crystal_density_diffrn    6.813
_cod_original_formula_sum
'(Ce.62 Y.2 Nd.06 La.03 Pr.01 Sm.01 Gd.02 Dy.02 Er.01 Yb.02) O1.68 F.24'
_cod_database_code               9016030
loop_
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1/2+z,1/2-x,y
-y,z,-x
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1/2-y,z,1/2-x
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1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-z,x,-y
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
CeA 0.00000 0.00000 0.50000 0.62000 0.00930 Ce 0
YA 0.00000 0.00000 0.50000 0.20000 0.00930 Y 0
NdA 0.00000 0.00000 0.50000 0.06000 0.00930 Nd 0
LaA 0.00000 0.00000 0.50000 0.03000 0.00930 La 0
PrA 0.00000 0.00000 0.50000 0.01000 0.00930 Pr 0
SmA 0.00000 0.00000 0.50000 0.01000 0.00930 Sm 0
GdA 0.00000 0.00000 0.50000 0.02000 0.00930 Gd 0
DyA 0.00000 0.00000 0.50000 0.02000 0.00930 Dy 0
ErA 0.00000 0.00000 0.50000 0.01000 0.00930 Er 0
YbA 0.00000 0.00000 0.50000 0.02000 0.00930 Yb 0
OX 0.25000 0.25000 0.25000 0.84000 0.01280 O 0
FX 0.25000 0.25000 0.25000 0.12000 0.01280 F 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:22:00+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018569
