#------------------------------------------------------------------------------
#$Date: 2018-01-23 16:21:15 +0200 (Tue, 23 Jan 2018) $
#$Revision: 205497 $
#$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_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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
YA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
DyA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
ErA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
CaA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
GdA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
UA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
YbA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
TbA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
ThA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
NdA 0.02700 0.01400 0.02700 0.00000 -0.00100 0.00000
NbB 0.02100 0.03300 0.02000 0.00000 0.00100 0.00000
AsB 0.02100 0.03300 0.02000 0.00000 0.00100 0.00000
WB 0.02100 0.03300 0.02000 0.00000 0.00100 0.00000
TaB 0.02100 0.03300 0.02000 0.00000 0.00100 0.00000
SiB 0.02100 0.03300 0.02000 0.00000 0.00100 0.00000
O1 0.03900 0.02500 0.06600 0.00400 0.00200 0.01000
O2 0.03500 0.02100 0.04100 0.00400 -0.00400 0.00100
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
YA 0.25000 0.12440 0.00000 0.70000 0.02300
DyA 0.25000 0.12440 0.00000 0.07000 0.02300
ErA 0.25000 0.12440 0.00000 0.05000 0.02300
CaA 0.25000 0.12440 0.00000 0.05000 0.02300
GdA 0.25000 0.12440 0.00000 0.02000 0.02300
UA 0.25000 0.12440 0.00000 0.02000 0.02300
YbA 0.25000 0.12440 0.00000 0.01000 0.02300
TbA 0.25000 0.12440 0.00000 0.01000 0.02300
ThA 0.25000 0.12440 0.00000 0.01000 0.02300
NdA 0.25000 0.12440 0.00000 0.01000 0.02300
NbB 0.25000 0.63020 0.00000 0.68000 0.02500
AsB 0.25000 0.63020 0.00000 0.27000 0.02500
WB 0.25000 0.63020 0.00000 0.06000 0.02500
TaB 0.25000 0.63020 0.00000 0.01000 0.02500
SiB 0.25000 0.63020 0.00000 0.01000 0.02500
O1 0.00390 0.71080 0.17600 1.00000 0.04300
O2 0.91050 0.45800 0.25080 1.00000 0.03200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005036