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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/1/53/34/1533434.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_1533434
loop_
_publ_author_name
'Alonso, J.A.'
'Pomjakushin, V.'
'Martinez-Lope, M.J.'
'Rivillas, F.'
_publ_section_title
;
 Preparation and structural study from neutron diffraction data of R2 Mo
 O6 ( R= Dy, Ho, Er, Tm, Yb, Y )
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2470
_journal_page_last               2476
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Er2 Mo O6'
_chemical_name_systematic        'Er2 (Mo O6)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.617
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.3249
_cell_length_b                   10.9856
_cell_length_c                   5.3307
_cell_volume                     905.977
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Alonso_JSSCBI_2004_1779.cif
_cod_data_source_block           Er2Mo1O6
_cod_original_cell_volume        905.9775
_cod_original_formula_sum        'Er2 Mo1 O6'
_cod_database_code               1533434
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
O5 O-2 0.0716 0.2652 0.5838 1 0.0
O1 O-2 0.2349 0.0512 0.3635 1 0.0
Er3 Er+3 0.332 0.1171 0.1204 1 0.0
Er1 Er+3 0 0.3936 0.25 1 0.0
Mo1 Mo+6 0.1552 0.1402 0.4391 1 0.0
O6 O-2 0.5918 0.0197 0.5795 1 0.0
Er2 Er+3 0 0.8635 0.25 1 0.0
O4 O-2 0.1061 0.221 0.1319 1 0.0
O2 O-2 0.0797 0.0328 0.485 1 0.0
O3 O-2 0.2281 0.2042 0.7425 1 0.0
