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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/9/01/32/9013296.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_9013296
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: K3-600 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
'Al1.118 Ca1.221 Ce0.233 Fe0.186 Mn2.242 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                 115.38
_cell_angle_gamma                90
_cell_length_a                   8.908
_cell_length_b                   5.711
_cell_length_c                   10.314
_cell_formula_units_Z            2
_cell_volume                     474.068
_database_code_amcsd             0004811
_exptl_crystal_density_diffrn    3.766
_cod_original_formula_sum
'Mn2.242 Ca1.221 Ce.233 Fe.186 Al1.118 Si3 O13'
_cod_database_code               9013296
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 0.76168 0.75000 0.15039 0.54656 0.01684
CaA1 0.76168 0.75000 0.15039 0.45344 0.01684
CaA2 0.60820 0.75000 0.42438 0.76712 0.01802
CeA2 0.60820 0.75000 0.42438 0.23288 0.01802
FeM2 0.00000 0.00000 0.50000 0.18596 0.01319
AlM2 0.00000 0.00000 0.50000 0.81404 0.01319
AlM1 0.00000 0.00000 0.00000 0.24310 0.01213
MnM1 0.00000 0.00000 0.00000 0.75690 0.01213
MnM3 0.30147 0.25000 0.22049 0.93882 0.01325
AlM3 0.30147 0.25000 0.22049 0.06118 0.01325
Si1 0.34442 0.75000 0.04252 1.00000 0.01155
Si2 0.68914 0.25000 0.27190 1.00000 0.01318
Si3 0.19046 0.75000 0.32413 1.00000 0.01075
O1 0.24088 0.99254 0.03566 1.00000 0.02022
O2 0.31508 0.97693 0.36053 1.00000 0.01702
O3 0.79955 0.01496 0.33049 1.00000 0.02017
O4 0.05838 0.25000 0.13034 1.00000 0.01493
O5 0.04673 0.75000 0.15481 1.00000 0.01682
O6 0.08076 0.75000 0.41720 1.00000 0.01652
O7 0.51862 0.75000 0.17982 1.00000 0.01973
O8 0.53927 0.25000 0.31983 1.00000 0.02807
O9 0.61385 0.25000 0.09667 1.00000 0.02805
O10 0.09308 0.25000 0.44164 1.00000 0.01654
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004811
