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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/32/9013292.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_9013292
loop_
_publ_author_name
'Bonazzi, P.'
'Holtstam, D.'
'Bindi, L.'
'Nysten, P.'
'Capitani, G.'
_publ_section_title
;Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
 from Kesebol, Vastra Gotaland, Sweden Locality: Kesebol, Vastra Gotaland,
 Sweden Note: K5 sample
;
_journal_name_full               'American Mineralogist'
_journal_page_first              121
_journal_page_last               134
_journal_paper_doi               10.2138/am.2009.2998
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        'Kesebol, Vastra Gotaland, Sweden'
_chemical_formula_sum            'Al1.08 Ca0.7 Ce0.78 Fe0.14 Mn2.3 O13 Si3'
_chemical_name_mineral           'Allanite-subgroup mineral'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.42
_cell_angle_gamma                90
_cell_length_a                   8.953
_cell_length_b                   5.763
_cell_length_c                   10.186
_cell_volume                     478.542
_cell_formula_units_Z            2
_database_code_amcsd             0004807
_exptl_crystal_density_diffrn    4.115
_cod_original_formula_sum        'Mn2.3 Ca.7 Ce.78 Fe.14 Al1.08 Si3 O13'
_cod_database_code               9013292
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
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
MnA1 0.76020 0.75000 0.15245 0.52000 0.01920
CaA1 0.76020 0.75000 0.15245 0.48000 0.01920
CeA2 0.59396 0.75000 0.42667 0.78000 0.01797
CaA2 0.59396 0.75000 0.42667 0.22000 0.01797
FeM2 0.00000 0.00000 0.50000 0.14000 0.01300
AlM2 0.00000 0.00000 0.50000 0.86000 0.01300
MnM1 0.00000 0.00000 0.00000 0.78000 0.01420
AlM1 0.00000 0.00000 0.00000 0.22000 0.01420
MnM3 0.30948 0.25000 0.21307 1.00000 0.01790
Si1 0.34430 0.75000 0.03740 1.00000 0.01280
Si2 0.69140 0.25000 0.27930 1.00000 0.01330
Si3 0.19080 0.75000 0.32540 1.00000 0.01170
O1 0.24020 0.98940 0.02730 1.00000 0.01980
O2 0.31470 0.97290 0.36350 1.00000 0.01810
O3 0.80170 0.01500 0.33320 1.00000 0.02000
O4 0.05780 0.25000 0.13530 1.00000 0.01750
O5 0.04940 0.75000 0.15650 1.00000 0.01700
O6 0.07600 0.75000 0.41690 1.00000 0.01560
O7 0.51310 0.75000 0.17810 1.00000 0.02010
O8 0.55040 0.25000 0.33760 1.00000 0.03160
O9 0.60930 0.25000 0.10270 1.00000 0.02410
O10 0.09110 0.25000 0.43310 1.00000 0.01580
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004807
