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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/63/1536357.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_1536357
loop_
_publ_author_name
'Demartin, F.'
'Pilati, T.'
'Gramaccioli, C.M.'
'Diella, V.'
'Gentile, P.'
_publ_section_title
;
 A crystal-chemical investigation of alpine gadolinite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              127
_journal_page_last               136
_journal_volume                  30
_journal_year                    1993
_chemical_compound_source        'Moos, Rauris, Austria'
_chemical_formula_sum
'B0.36 Be1.64 Ca0.14 Dy0.38 Fe0.66 H0.5 O10 Si2 Y1.48'
_chemical_name_mineral           Gadolinite-(Y)
_chemical_name_systematic
;
Fe0.66 (Y1.48 Dy0.38 Ca0.14) ((Be1.64 B0.36) Si2 O9.5 (O H)0.5)
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.51
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.747
_cell_length_b                   7.544
_cell_length_c                   9.931
_cell_volume                     355.629
_citation_journal_id_ASTM        CAMIA6
_database_code_amcsd             0005286
_exptl_crystal_density_diffrn    4.395
_cod_data_source_file            Demartin_CAMIA6_1993_1550.cif
_cod_data_source_block           H0.5B0.36Be1.64Ca0.14Dy0.38Fe0.66O10Si2Y1.48
_cod_original_cell_volume        355.6286
_cod_original_formula_sum
'H0.5 B0.36 Be1.64 Ca0.14 Dy0.38 Fe0.66 O10 Si2 Y1.48'
_cod_database_code               1536357
loop_
_space_group_symop_operation_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O1 O-2 0.7603 0.4127 0.0307 1 0.0
Si1 Si+4 0.5196 0.2781 0.07868 1 0.0
O2 O-2 0.3245 0.287 0.4513 1 0.0
O3 O-2 0.3064 0.3468 0.1958 1 0.0
Be1 Be+2 0.4567 0.4151 0.3359 0.82 0.0
Y1 Y+3 0.99946 0.1078 0.33018 0.74 0.0
O4 O-2 0.6865 0.1072 0.1437 1 0.0
B1 B+3 0.4567 0.4151 0.3359 0.18 0.0
Fe1 Fe+2 0 0 0 0.66 0.0
Dy1 Dy+3 0.99946 0.1078 0.33018 0.19 0.0
O5 O-2 0.7944 0.4116 0.3324 1 0.0
Ca1 Ca+2 0.99946 0.1078 0.33018 0.07 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005286
