#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/08/9010844.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_9010844
loop_
_publ_author_name
'Miyawaki, R.'
'Yokoyama, K.'
'Matsubara, S.'
'Tsutsumi, Y.'
'Goto, A.'
_publ_section_title
;
 Uedaite-(Ce), a new member of the epidote group with Mn at the A site, from
 Shodoshima, Kagawa Prefecture, Japan
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              261
_journal_page_last               269
_journal_paper_doi               10.1127/0935-1221/2008/0020-1783
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source
'Shodoshima Island, Kagawa Prefecture, western Japan'
_chemical_formula_sum
'Al1.986 Ca0.35 Ce0.914 Fe1.1 H Mn0.65 O13 Si3'
_chemical_name_mineral           Uedaite-(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                 114.520
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.865
_cell_length_b                   5.717
_cell_length_c                   10.060
_cell_volume                     463.873
_database_code_amcsd             0007258
_exptl_crystal_density_diffrn    4.196
_cod_original_formula_sum
'(Mn.65 Ca.35) Ce.914 Fe1.1 Al1.986 Si3 O13 H'
_cod_database_code               9010844
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
_atom_site_type_symbol
_atom_site_attached_hydrogens
MnA1 0.75371 0.75000 0.14962 0.65000 0.01620 Mn 0
CaA1 0.75371 0.75000 0.14962 0.35000 0.01620 Ca 0
CeA2 0.59398 0.75000 0.42960 0.91400 0.01294 Ce 0
FeA2 0.59398 0.75000 0.42960 0.08600 0.01294 Fe 0
AlM1 0.00000 0.00000 0.00000 0.87300 0.01100 Al 0
FeM1 0.00000 0.00000 0.00000 0.12700 0.01100 Fe 0
AlM2 0.00000 0.00000 0.50000 0.98800 0.00950 Al 0
FeM2 0.00000 0.00000 0.50000 0.01200 0.00950 Fe 0
FeM3 0.30676 0.25000 0.21065 0.87500 0.01200 Fe 0
AlM3 0.30676 0.25000 0.21065 0.12500 0.01200 Al 0
Si1 0.34062 0.75000 0.03426 1.00000 0.01020 Si 0
Si2 0.68819 0.25000 0.27847 1.00000 0.00990 Si 0
Si3 0.19042 0.75000 0.32381 1.00000 0.00900 Si 0
O1 0.23240 0.99020 0.01840 1.00000 0.01740 O 0
O2 0.31610 0.97280 0.36540 1.00000 0.01350 O 0
O3 0.79980 0.01180 0.33140 1.00000 0.01640 O 0
O4 0.05880 0.25000 0.12910 1.00000 0.01350 O 0
O5 0.05270 0.75000 0.15180 1.00000 0.01510 O 0
O6 0.07510 0.75000 0.41760 1.00000 0.01260 O 0
O7 0.51020 0.75000 0.17880 1.00000 0.01720 O 0
O8 0.54760 0.25000 0.33860 1.00000 0.02340 O 0
O9 0.60030 0.25000 0.09940 1.00000 0.02000 O 0
O-H10 0.08900 0.25000 0.43000 1.00000 0.01220 O 1
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:52:45+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:21:35+03:00
;Changed the following '_atom_site_aniso_label' values:
'OH10' -> 'O-H10'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007258
