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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531914.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_1531914
loop_
_publ_author_name
'Mujica, C.'
'Casan-Pastor, N.'
'Llanos, J.'
'Gomez-Romero, P.'
'Sanchez, V.'
_publ_section_title
;
 Synthesis and crystal structure of the monoclinic modification of Yb (Re
 O4)3 (H2 O)4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              200
_journal_page_last               204
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'H8 O16 Re3 Yb'
_chemical_name_systematic        'Yb (Re O4)3 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.305
_cell_length_b                   14.841
_cell_length_c                   13.117
_cell_volume                     1419.112
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mujica_JSSCBI_2003_1526.cif
_cod_data_source_block           H8O16Re3Yb1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H8 O16 Re3 Yb1'
_cod_database_code               1531914
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
Re1 Re+7 0.0345 0.1422 0.4371 1 0.0
O8 O-2 0.067 0.185 0.555 1 0.0
O7 O-2 0.068 0.228 0.351 1 0.0
O10 O-2 0.823 0.178 0.75 1 0.0
O13 O-2 0.032 0.951 0.815 1 0.0
O16 O-2 0.89 0.898 0.991 1 0.0
O15 O-2 0.255 0.888 0.978 1 0.0
O3 O-2 0.792 0.464 0.206 1 0.0
O5 O-2 0.817 0.101 0.421 1 0.0
O11 O-2 0.971 0.288 0.906 1 0.0
Re2 Re+7 0.9959 0.2552 0.7833 1 0.0
O12 O-2 0.974 0.35 0.71 1 0.0
O14 O-2 0.028 0.768 0.865 1 0.0
O9 O-2 0.208 0.208 0.774 1 0.0
O1 O-2 0.068 0.407 0.087 1 0.0
Re3 Re+7 0.0498 0.8742 0.9129 1 0.0
Yb1 Yb+3 0.003 0.3508 0.2476 1 0.0
O6 O-2 0.183 0.054 0.42 1 0.0
O2 O-2 0.913 0.404 0.408 1 0.0
O4 O-2 0.171 0.481 0.284 1 0.0
