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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/51/1525169.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_1525169
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
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              115
_journal_page_last               122
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'O7 Ta Y3'
_chemical_name_systematic        'Y3 Ta O7'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4762
_cell_length_b                   7.4237
_cell_length_c                   7.4522
_cell_volume                     579.574
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rossell_JSSCBI_1979_400.cif
_cod_data_source_block           O7Ta1Y3
_cod_original_cell_volume        579.5737
_cod_original_formula_sum        'O7 Ta1 Y3'
_cod_database_code               1525169
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
O2 O-2 0.108 0.773 0.292 1 0.0
Ta1 Ta+5 0 0 0.25 1 0.0
O5 O-2 0.077 0 0 1 0.0
O3 O-2 0.13 0.5 0 1 0.0
O4 O-2 0.149 0.5 0.5 1 0.0
O1 O-2 0.143 0.185 0.278 1 0.0
Y2 Y+3 0.236 0.2379 0 1 0.0
Y1 Y+3 0 0.494 0.25 1 0.0
