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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/9/01/32/9013295.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_9013295
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: K3-550 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
'Al1.113 Ca1.151 Ce0.241 Fe0.172 Mn2.323 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                 115.24
_cell_angle_gamma                90
_cell_length_a                   8.922
_cell_length_b                   5.717
_cell_length_c                   10.272
_cell_formula_units_Z            2
_cell_volume                     473.923
_database_code_amcsd             0004810
_exptl_crystal_density_diffrn    3.780
_cod_original_formula_sum
'Mn2.323 Ca1.151 Ce.241 Fe.172 Al1.113 Si3 O13'
_cod_database_code               9013295
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 0.76091 0.75000 0.15059 0.60784 0.01799
CaA1 0.76091 0.75000 0.15059 0.39216 0.01799
CaA2 0.60563 0.75000 0.42478 0.75888 0.01958
CeA2 0.60563 0.75000 0.42478 0.24112 0.01958
FeM2 0.00000 0.00000 0.50000 0.17158 0.01404
AlM2 0.00000 0.00000 0.50000 0.82842 0.01404
AlM1 0.00000 0.00000 0.00000 0.23436 0.01391
MnM1 0.00000 0.00000 0.00000 0.76564 0.01391
MnM3 0.30231 0.25000 0.21924 0.94994 0.01550
AlM3 0.30231 0.25000 0.21924 0.05006 0.01550
Si1 0.34448 0.75000 0.04184 1.00000 0.01294
Si2 0.68920 0.25000 0.27311 1.00000 0.01430
Si3 0.19022 0.75000 0.32387 1.00000 0.01189
O1 0.24108 0.99191 0.03464 1.00000 0.02165
O2 0.31473 0.97641 0.36076 1.00000 0.01791
O3 0.79912 0.01442 0.33091 1.00000 0.02096
O4 0.05879 0.25000 0.13129 1.00000 0.01627
O5 0.04674 0.75000 0.15496 1.00000 0.01726
O6 0.07946 0.75000 0.41656 1.00000 0.01747
O7 0.51719 0.75000 0.17907 1.00000 0.02104
O8 0.54088 0.25000 0.32279 1.00000 0.03243
O9 0.61215 0.25000 0.09779 1.00000 0.02949
O10 0.09220 0.25000 0.43941 1.00000 0.01665
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004810
