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#$Date: 2015-10-10 07:21:54 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 165152 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537133.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_1537133
loop_
_publ_author_name
'Rossell, H.J.'
_publ_section_title
;
 Fluorite-related phases Ln3 M O7, Ln= Rare-earth, Y or Sc, M= Nb, Sb or
 Ta III. Structure of the non-stoichiometric Y3 Ta O7 phase
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              287
_journal_page_last               292
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'O7.14 Ta1.17 Y2.83'
_chemical_name_systematic        'Ta1.17 Y2.83 O7.14'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4732
_cell_length_b                   7.3876
_cell_length_c                   3.7152
_cell_volume                     287.452
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rossell_JSSCBI_1979_191.cif
_cod_data_source_block           O7.14Ta1.17Y2.83
_cod_original_cell_volume        287.4518
_cod_database_code               1537133
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-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
Ta1 Ta+5 0 0 0.5 1 0.0
O2 O-2 0.154 0.5 0 1 0.0
Y2 Y+3 0.25 0.25 0 0.914 0.0
Ta2 Ta+5 0.25 0.25 0 0.086 0.0
Y1 Y+3 0 0.5 0.5 1 0.0
O3 O-2 0.056 0 0 0.568 0.0
O1 O-2 0.121 0.204 0.5 1 0.0
