#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/46/9014603.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_9014603
loop_
_publ_author_name
'Guastoni, A.'
'Camara, F.'
'Nestola, F.'
_publ_section_title
;
 Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy):
 Crystal structure and genetic implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              487
_journal_page_last               494
_journal_paper_doi               10.2138/am.2010.3239
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Mount Cervandone, Western Alps, Italy'
_chemical_formula_sum
'As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01'
_chemical_name_mineral           Fergusonite-(Y)-beta
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.282
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1794
_cell_length_b                   11.089
_cell_length_c                   5.1176
_cell_volume                     293.853
_database_code_amcsd             0005036
_exptl_crystal_density_diffrn    5.865
_cod_original_formula_sum
'Y.7 Dy.07 Er.05 Ca.05 Gd.02 U.02 Yb.01 Tb.01 Th.01 Nd.01 Nb.68 As.27 W.06 Ta.01 Si.01 O4'
_cod_database_code               9014603
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-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
YA 0.25000 0.12440 0.00000 0.70000 0.02300 Y 0
DyA 0.25000 0.12440 0.00000 0.07000 0.02300 Dy 0
ErA 0.25000 0.12440 0.00000 0.05000 0.02300 Er 0
CaA 0.25000 0.12440 0.00000 0.05000 0.02300 Ca 0
GdA 0.25000 0.12440 0.00000 0.02000 0.02300 Gd 0
UA 0.25000 0.12440 0.00000 0.02000 0.02300 U 0
YbA 0.25000 0.12440 0.00000 0.01000 0.02300 Yb 0
TbA 0.25000 0.12440 0.00000 0.01000 0.02300 Tb 0
ThA 0.25000 0.12440 0.00000 0.01000 0.02300 Th 0
NdA 0.25000 0.12440 0.00000 0.01000 0.02300 Nd 0
NbB 0.25000 0.63020 0.00000 0.68000 0.02500 Nb 0
AsB 0.25000 0.63020 0.00000 0.27000 0.02500 As 0
WB 0.25000 0.63020 0.00000 0.06000 0.02500 W 0
TaB 0.25000 0.63020 0.00000 0.01000 0.02500 Ta 0
SiB 0.25000 0.63020 0.00000 0.01000 0.02500 Si 0
O1 0.00390 0.71080 0.17600 1.00000 0.04300 O 0
O2 0.91050 0.45800 0.25080 1.00000 0.03200 O 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
;
2023-05-23T09:25:16+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 0005036
