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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/9/01/32/9013290.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_9013290
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: K2 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
'Al1.138 Ca0.646 Ce0.735 Fe0.153 Mn2.326 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                   8.943
_cell_length_b                   5.768
_cell_length_c                   10.195
_cell_formula_units_Z            2
_cell_volume                     478.844
_database_code_amcsd             0004805
_exptl_crystal_density_diffrn    4.080
_cod_original_formula_sum
'Mn2.326 Ca.646 Ce.735 Fe.153 Al1.138 Si3 O13'
_cod_database_code               9013290
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 0.75964 0.75000 0.15194 0.61828 0.02279
CaA1 0.75964 0.75000 0.15194 0.38172 0.02279
CeA2 0.59410 0.75000 0.42632 0.73530 0.02174
CaA2 0.59410 0.75000 0.42632 0.26470 0.02174
FeM2 0.00000 0.00000 0.50000 0.15348 0.01694
AlM2 0.00000 0.00000 0.50000 0.84652 0.01694
AlM1 0.00000 0.00000 0.00000 0.28730 0.01747
MnM1 0.00000 0.00000 0.00000 0.71270 0.01747
MnM3 0.30962 0.25000 0.21349 0.99544 0.02213
AlM3 0.30962 0.25000 0.21349 0.00456 0.02213
Si1 0.34438 0.75000 0.03787 1.00000 0.01588
Si2 0.69149 0.25000 0.27847 1.00000 0.01715
Si3 0.19044 0.75000 0.32513 1.00000 0.01454
O1 0.24009 0.98935 0.02760 1.00000 0.02371
O2 0.31387 0.97345 0.36316 1.00000 0.02285
O3 0.80123 0.01557 0.33193 1.00000 0.02298
O4 0.05825 0.25000 0.13506 1.00000 0.02337
O5 0.04918 0.75000 0.15562 1.00000 0.02065
O6 0.07584 0.75000 0.41702 1.00000 0.01953
O7 0.51255 0.75000 0.17764 1.00000 0.02563
O8 0.54890 0.25000 0.33404 1.00000 0.03959
O9 0.60920 0.25000 0.10193 1.00000 0.02846
O10 0.09094 0.25000 0.43312 1.00000 0.02007
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004805
