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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005161.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_9005161
loop_
_publ_author_name
'Aurisicchio, C.'
'Orlandi, P.'
'Pasero, M.'
'Perchiazzi, N.'
_publ_section_title
;
 Uranopolycrase, the uranium-dominant analogue of polycrase-(Y),
 a new mineral from Elba Island, Italy, and its crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1161
_journal_page_last               1165
_journal_volume                  5
_journal_year                    1993
_chemical_compound_source        'Elba Island, Italy'
_chemical_formula_sum
'Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29'
_chemical_name_mineral           Uranopolycrase
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.51
_cell_length_b                   5.558
_cell_length_c                   5.173
_cell_formula_units_Z            4
_cell_volume                     417.185
_database_code_amcsd             0006507
_exptl_crystal_density_diffrn    6.600
_cod_original_formula_sum
'U.62 Y.29 Th.07 Mn.03 Ca.02 Nd.01 Ti1.46 Nb.36 Ta.12 O6'
_cod_database_code               9005161
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+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
U 0.00000 0.22660 0.25000 0.62000 0.01368
Y 0.00000 0.22660 0.25000 0.29000 0.01368
Th 0.00000 0.22660 0.25000 0.07000 0.01368
Mn 0.00000 0.22660 0.25000 0.03000 0.01368
Ca 0.00000 0.22660 0.25000 0.02000 0.01368
Nd 0.00000 0.22660 0.25000 0.01000 0.01368
Ti 0.16900 0.32220 0.81520 0.73000 0.00798
Nb 0.16900 0.32220 0.81520 0.18000 0.00798
Ta 0.16900 0.32220 0.81520 0.06000 0.00798
O1 0.09200 0.43300 0.52600 1.00000 0.00253
O2 0.08400 0.09600 0.91600 1.00000 0.01013
O3 0.25700 0.13500 0.64700 1.00000 0.00633
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006507
