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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/9/01/32/9013297.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_9013297
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: K3-700 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
'Al1.059 Ca1.43 Ce0.188 Fe0.265 Mn2.059 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                 115.35
_cell_angle_gamma                90
_cell_length_a                   8.891
_cell_length_b                   5.696
_cell_length_c                   10.350
_cell_formula_units_Z            2
_cell_volume                     473.685
_database_code_amcsd             0004812
_exptl_crystal_density_diffrn    3.732
_cod_original_formula_sum
'Mn2.059 Ca1.43 Ce.188 Fe.265 Al1.059 Si3 O13'
_cod_database_code               9013297
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 0.76241 0.75000 0.14949 0.38286 0.01501
CaA1 0.76241 0.75000 0.14949 0.61714 0.01501
CaA2 0.61123 0.75000 0.42393 0.81246 0.01602
CeA2 0.61123 0.75000 0.42393 0.18754 0.01602
FeM2 0.00000 0.00000 0.50000 0.26452 0.01116
AlM2 0.00000 0.00000 0.50000 0.73548 0.01116
AlM1 0.00000 0.00000 0.00000 0.29030 0.01091
MnM1 0.00000 0.00000 0.00000 0.70970 0.01091
MnM3 0.29969 0.25000 0.22165 0.96690 0.01121
AlM3 0.29969 0.25000 0.22165 0.03310 0.01121
Si1 0.34436 0.75000 0.04362 1.00000 0.00989
Si2 0.68799 0.25000 0.26941 1.00000 0.01120
Si3 0.19050 0.75000 0.32273 1.00000 0.00929
O1 0.24130 0.99217 0.03694 1.00000 0.01709
O2 0.31596 0.97788 0.35936 1.00000 0.01427
O3 0.79755 0.01402 0.32870 1.00000 0.01662
O4 0.05937 0.25000 0.12938 1.00000 0.01278
O5 0.04624 0.75000 0.15382 1.00000 0.01490
O6 0.08270 0.75000 0.41711 1.00000 0.01511
O7 0.51840 0.75000 0.17949 1.00000 0.01750
O8 0.53741 0.25000 0.31613 1.00000 0.02348
O9 0.61431 0.25000 0.09533 1.00000 0.02539
O10 0.09308 0.25000 0.44296 1.00000 0.01408
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004812
