#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004767.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_9004767
loop_
_publ_author_name
'Kartashov, P. M.'
'Ferraris, G.'
'Ivaldi, G.'
'Sokolova, E. V.'
'McCammon, C. A.'
_publ_section_title
;
 Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the
 epidote group: Description, X-ray and Mossbauer study: Errata
 Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              829
_journal_page_last               830
_journal_paper_doi               10.2113/gscanmin.41.3.829
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum
'Al0.68 Ca1.08 Ce0.92 Fe2.17 H Mn0.07 O13 Si2.94 Ti0.14'
_chemical_name_mineral           Ferriallanite-(Ce)
_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                 115.02
_cell_angle_gamma                90
_cell_length_a                   8.962
_cell_length_b                   5.836
_cell_length_c                   10.182
_cell_formula_units_Z            2
_cell_volume                     482.568
_database_code_amcsd             0005860
_exptl_crystal_density_diffrn    4.225
_cod_original_formula_sum
'(Ca1.08 Ce.92) Si2.94 Al.68 Fe2.17 Ti.14 Mn.07 O13 H'
_cod_database_code               9004767
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
CaA1 0.75593 0.75000 0.14914 0.97000 0.01290
CeA1 0.75593 0.75000 0.14914 0.03000 0.01290
CeA2 0.59300 0.75000 0.42969 0.89000 0.01010
CaA2 0.59300 0.75000 0.42969 0.11000 0.01010
Si1 0.34260 0.75000 0.03835 1.00000 0.00690
Si2 0.68540 0.25000 0.27559 1.00000 0.00790
Si3 0.19300 0.75000 0.32639 0.94000 0.00660
Al3 0.19300 0.75000 0.32639 0.06000 0.00660
FeM1 0.00000 0.00000 0.00000 0.80000 0.00680
TiM1 0.00000 0.00000 0.00000 0.14000 0.00680
AlM1 0.00000 0.00000 0.00000 0.06000 0.00680
AlM2 0.00000 0.00000 0.50000 0.56000 0.00770
FeM2 0.00000 0.00000 0.50000 0.44000 0.00770
FeM3 0.30699 0.25000 0.21701 0.93000 0.00950
MnM3 0.30699 0.25000 0.21701 0.07000 0.00950
O1 0.23820 0.98630 0.02560 1.00000 0.01000
O2 0.31690 0.96910 0.36700 1.00000 0.00980
O3 0.79550 0.01780 0.33040 1.00000 0.01250
O4 0.06270 0.25000 0.13740 1.00000 0.00930
O5 0.05250 0.75000 0.15580 1.00000 0.01010
O6 0.07420 0.75000 0.41320 1.00000 0.01040
O7 0.51020 0.75000 0.18140 1.00000 0.01230
O8 0.54450 0.25000 0.33250 1.00000 0.01680
O9 0.60410 0.25000 0.09770 1.00000 0.01440
O10 0.09370 0.25000 0.43160 1.00000 0.01150
H 0.08300 0.25000 0.35800 1.00000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005860
