#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014525.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_9014525
loop_
_publ_author_name
'Nagashima, M.'
'Armbruster, T.'
'Akasaka, M.'
'Minakawa, T.'
_publ_section_title
;
 Crystal chemistry of Mn2+-, Sr-rich and REE-bearing piemontite from the
 Kamisugai mine in the Sambagawa metamorphic belt, Shikoku, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              142
_journal_page_last               150
_journal_paper_doi               10.2465/jmps.090709
_journal_volume                  105
_journal_year                    2010
_chemical_compound_source
'Kamisugai mine, Sambagawa metamorphic belt, Shikoku, Japan'
_chemical_formula_sum
'Al1.83 Ca1.3 Ce0.05 Fe1.11 H0.87 La0.03 Mn1.13 Nd0.02 O12.87 Si3 Sr0.19'
_chemical_name_mineral           Piemontite
_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                 114.719
_cell_angle_gamma                90
_cell_length_a                   8.8673
_cell_length_b                   5.6747
_cell_length_c                   10.1594
_cell_formula_units_Z            2
_cell_volume                     464.371
_database_code_amcsd             0018299
_exptl_crystal_density_diffrn    3.914
_cod_original_formula_sum
'Ca1.3 Mn1.13 Sr.19 La.03 Ce.05 Nd.02 Al1.83 Fe1.11 Si3 O12.87 H.87'
_cod_database_code               9014525
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
CaAl 0.75740 0.75000 0.15270 0.59000 0.01570
MnAl 0.75740 0.75000 0.15270 0.41000 0.01570
CaA2 0.59500 0.75000 0.42469 0.71000 0.00870
SrA2 0.59500 0.75000 0.42469 0.19000 0.00870
LaA2 0.59500 0.75000 0.42469 0.03000 0.00870
CeA2 0.59500 0.75000 0.42469 0.05000 0.00870
NdA2 0.59500 0.75000 0.42469 0.02000 0.00870
AlMl 0.00000 0.00000 0.00000 0.72000 0.00850
MnMl 0.00000 0.00000 0.00000 0.17000 0.00850
FeMl 0.00000 0.00000 0.00000 0.77000 0.00850
AlM2 0.00000 0.00000 0.50000 1.00000 0.00880
AlM3 0.29990 0.25000 0.21930 0.11000 0.00960
MnM3 0.29990 0.25000 0.21930 0.55000 0.00960
FeM3 0.29990 0.25000 0.21930 0.34000 0.00960
Sil 0.34330 0.75000 0.04280 1.00000 0.01020
Si2 0.68900 0.25000 0.27570 1.00000 0.01030
Si3 0.18540 0.75000 0.31930 1.00000 0.00970
O1 0.23680 0.99270 0.03470 1.00000 0.01650
O2 0.30660 0.97820 0.35450 1.00000 0.01480
O3 0.80090 0.01430 0.33400 1.00000 0.01650
O4 0.05630 0.25000 0.13050 1.00000 0.01270
O5 0.04110 0.75000 0.14920 1.00000 0.01360
O6 0.07420 0.75000 0.41400 1.00000 0.01250
O7 0.51700 0.75000 0.17850 1.00000 0.01900
O8 0.53400 0.25000 0.32010 1.00000 0.02000
O9 0.61630 0.25000 0.09990 1.00000 0.02400
O10 0.08850 0.25000 0.43290 0.87000 0.01170
H10 0.03000 0.25000 0.32700 0.87000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018299
