#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/49/9004971.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_9004971
loop_
_publ_author_name
'Orlandi, P.'
'Pasero, M.'
_publ_section_title
;Allanite-(La) from Buca della Vena mine, Apuan Alps, Italy, an epidote-group
 mineral Locality: Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany,
 Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               68
_journal_paper_doi               10.2113/gscanmin.44.1.63
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Buca della Vena mine, near Stazzema, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum
;Al1.871 Ca1.311 Ce0.196 Fe1.009 H La0.274 Mg0.12 Nd0.111 O13 Pr0.101 Si3
 Th0.006 Y0.001
;
_chemical_name_mineral           Allanite-(La)
_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                 114.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.914
_cell_length_b                   5.726
_cell_length_c                   10.132
_cell_volume                     469.195
_database_code_amcsd             0006069
_exptl_crystal_density_diffrn    3.913
_cod_original_formula_sum
;Ca1.311 La.274 Ce.196 Nd.111 Pr.101 Th.006 Y.001 Al1.871 Fe1.009 Mg.12 Si3
 O13 H
;
_cod_database_code               9004971
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
CaA1 0.75900 0.75000 0.15183 1.00000 0.01300 Ca 0
CaA2 0.59437 0.75000 0.42901 0.31100 0.01187 Ca 0
LaA2 0.59437 0.75000 0.42901 0.27400 0.01187 La 0
CeA2 0.59437 0.75000 0.42901 0.19600 0.01187 Ce 0
NdA2 0.59437 0.75000 0.42901 0.11100 0.01187 Nd 0
PrA2 0.59437 0.75000 0.42901 0.10100 0.01187 Pr 0
ThA2 0.59437 0.75000 0.42901 0.00600 0.01187 Th 0
YA2 0.59437 0.75000 0.42901 0.00100 0.01187 Y 0
AlM1 0.00000 0.00000 0.00000 0.87100 0.00830 Al 0
Fe3+M1 0.00000 0.00000 0.00000 0.12900 0.00830 Fe 0
AlM2 0.00000 0.00000 0.50000 1.00000 0.00860 Al 0
Fe2+M3 0.29816 0.25000 0.21552 0.62100 0.01080 Fe 0
Fe3+M3 0.29816 0.25000 0.21552 0.25900 0.01080 Fe 0
MgM3 0.29816 0.25000 0.21552 0.12000 0.01080 Mg 0
Si1 0.33740 0.75000 0.03940 1.00000 0.00910 Si 0
Si2 0.68520 0.25000 0.27930 1.00000 0.00900 Si 0
Si3 0.18570 0.75000 0.32170 1.00000 0.00860 Si 0
O1 0.23260 0.98990 0.03020 1.00000 0.01350 O 0
O2 0.30940 0.97360 0.36340 1.00000 0.01400 O 0
O3 0.79480 0.01390 0.34030 1.00000 0.01210 O 0
O4 0.05500 0.25000 0.12940 1.00000 0.01070 O 0
O5 0.04710 0.75000 0.14950 1.00000 0.01150 O 0
O6 0.06510 0.75000 0.40830 1.00000 0.01060 O 0
O7 0.51040 0.75000 0.17920 1.00000 0.01380 O 0
O8 0.53640 0.25000 0.32690 1.00000 0.01830 O 0
O9 0.61650 0.25000 0.10170 1.00000 0.01800 O 0
O10 0.08300 0.25000 0.42690 1.00000 0.01060 O 0
H10 0.06000 0.25000 0.35000 1.00000 0.06000 H 0
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 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:20:02+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006069
