#------------------------------------------------------------------------------
#$Date: 2021-06-10 11:24:18 +0300 (Thu, 10 Jun 2021) $
#$Revision: 266353 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/32/1563285.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_1563285
loop_
_publ_author_name
'Huang, Jinping'
'Xu, Jun'
'Li, Hexing'
'Luo, Hongshan'
'Yu, Xibin'
'Li, Yikang'
_publ_section_title
;
 Determining the structure of tetragonal Y2WO6 and the site occupation of
 Eu3+ dopant
;
_journal_issue                   4
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              843
_journal_page_last               847
_journal_paper_doi               10.1016/j.jssc.2011.02.015
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'O6 W Y2'
_chemical_formula_weight         457.65
_space_group_IT_number           129
_space_group_name_Hall           '-P 4a 2a'
_space_group_name_H-M_alt        'P 4/n m m :2'
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   5.2596(2)
_cell_length_b                   5.2596(2)
_cell_length_c                   8.4158(4)
_cell_measurement_temperature    300
_cell_volume                     232.810(17)
_computing_structure_refinement  Fullprof
_computing_structure_solution    'Sir2008 ESPOIR'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_pd_proc_ls_prof_R_factor        0.152
_pd_proc_ls_prof_wR_factor       0.203
_refine_ls_R_Fsqd_factor         0.0586
_refine_ls_R_I_factor            0.0812
_cod_data_source_file            JSSC-2011-184-843.cif
_cod_data_source_block           Y2WO6
_cod_original_cell_volume        232.8
_cod_original_sg_symbol_Hall     -P_4a_2a
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               1563285
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-y,x,z
3 1/2-x,1/2-y,z
4 y,1/2-x,z
5 1/2+x,-y,-z
6 -x,1/2+y,-z
7 1/2+y,1/2+x,-z
8 -y,-x,-z
9 -x,-y,-z
10 1/2+y,-x,-z
11 1/2+x,1/2+y,-z
12 -y,1/2+x,-z
13 1/2-x,y,z
14 x,1/2-y,z
15 1/2-y,1/2-x,z
16 y,x,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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_B_iso_or_equiv
Y1 Y+3 0.2500 0.2500 0.3348(7) 1 2 c 0 d 1.90
Y2 Y+3 0.2500 0.7500 0.0000 1 2 a 0 d 1.58
W W+6 0.2500 0.2500 0.7242(2) 1 2 c 0 d 0.77
O1 O-2 0.0003(6) 0.0003(6) 0.8258(8) 1 8 j 0 d 1.79
O2 O-2 0.2500 0.0007(7) 0.5597(9) 0.5 8 i 0 d 1.33
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Y +3 1.200
W +6 1.200
O -2 1.200
