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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/10/9011071.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011071
loop_
_publ_author_name
'Wolten, G. M.'
_publ_section_title
;
 The structure of the M'-phase of YTaO4, a third fergusonite polymorph
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              939
_journal_page_last               944
_journal_paper_doi               10.1107/S0365110X67004098
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Ta Y'
_chemical_name_mineral           Formanite-(Y)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.44
_cell_angle_gamma                90
_cell_length_a                   5.292
_cell_length_b                   5.451
_cell_length_c                   5.11
_cell_formula_units_Z            2
_cell_volume                     146.476
_database_code_amcsd             0009316
_exptl_crystal_density_diffrn    7.569
_cod_original_formula_sum        'Y Ta O4'
_cod_database_code               9011071
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,-z
1/2+x,-y,z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Y 0.00028 0.00497 0.00640 0.00000 -0.00135 0.00000
Ta 0.00336 0.00707 0.00888 0.00000 0.00866 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Y 0.25000 0.76940 0.00000 ?
Ta 0.25000 0.30560 0.50000 ?
O1 0.49000 0.46200 0.26600 0.00747
O2 0.08100 0.06900 0.25800 0.03952
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009316