#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/12/1531205.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1531205
loop_
_publ_author_name
'Bonazzi, P.'
'Dei, L.'
'Zoppi, M.'
_publ_section_title
;
 Metamict aeschynite-(Y) from the Evje-Iveland district (Norway):
 heat-induced recrystallization and dehydrogenation
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              141
_journal_page_last               150
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum
'Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5'
_chemical_name_systematic
;
(Y0.50 Dy0.25 Th0.157 U0.056 Ca0.012) (Ti1.605 Nb0.335 Ta0.05 W0.014 Fe0.018) 
O5.72 (O H)0.28
;
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8637
_cell_length_b                   7.4406
_cell_length_c                   5.1717
_cell_volume                     418.041
_citation_journal_id_ASTM        EJMIER
_cod_data_source_file            Bonazzi_EJMIER_2002_282.cif
_cod_data_source_block
H0.28Ca0.012Dy0.25Fe0.018Nb0.335O6Ta0.05Th0.157Ti1.605U0.056W0.014Y0.5
_cod_original_cell_volume        418.0412
_cod_original_formula_sum
;
H0.28 Ca0.012 Dy0.25 Fe0.018 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 
Y0.5
;
_cod_database_code               1531205
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti1 Ti+4 0.3579 0.5106 0.543 0.8025 0.0
U1 U+6 0.4528 0.25 0.038 0.056 0.0
O2 O-2 0.528 0.447 0.739 1 0.0
O4 O-2 0.333 0.25 0.446 1 0.0
Th1 Th+4 0.4528 0.25 0.038 0.157 0.0
W1 W+6 0.3579 0.5106 0.543 0.007 0.0
Fe1 Fe+3 0.3579 0.5106 0.543 0.009 0.0
Y1 Y+3 0.4528 0.25 0.038 0.499 0.0
O3 O-2 0.629 0.25 0.303 1 0.0
Dy1 Dy+3 0.4528 0.25 0.038 0.251 0.0
O1 O-2 0.287 0.442 0.877 1 0.0
Ca1 Ca+2 0.4528 0.25 0.038 0.012 0.0
Ta1 Ta+5 0.3579 0.5106 0.543 0.025 0.0
Nb1 Nb+5 0.3579 0.5106 0.543 0.1675 0.0
