#------------------------------------------------------------------------------
#$Date: 2016-11-18 09:24:33 +0200 (Fri, 18 Nov 2016) $
#$Revision: 188557 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/46/1544614.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_1544614
loop_
_publ_author_name
'Hori, H.'
'Kobayashi, T.'
'Miyawaki, R.'
'Matsubara, S.'
'Yokoyama, K.'
'Shimizu, M.'
_publ_section_title
;
 Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town,
 Fukushima Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  101
_journal_year                    2006
_chemical_formula_sum            'E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81'
_chemical_name_common            iwashiroite-(Y)
_chemical_name_mineral           iwashiroite-(Y)
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/a 1'
_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                 95.89(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.292(2)
_cell_length_b                   5.452(2)
_cell_length_c                   5.1149(18)
_cell_volume                     146.80(9)
_cod_data_source_file            YTaO3.cif
_cod_data_source_block           YTaO3
_cod_original_formula_sum        'Y0.81 REE0.19 Ta0.58 Nb0.39 Ti0.02 O4'
_cod_database_code               1544614
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, y, -z'
'x+1/2, -y, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
YHo 0.7800 0.250000 0.76342(17) 0.000000 Uiso 0.007631 Y
YHo 0.2200 0.250000 0.76342(17) 0.000000 Uiso 0.007631 Ho
TaNb 0.6000 0.250000 0.30254(11) 0.500000 Uiso 0.008795 Ta
TaNb 0.4000 0.250000 0.30254(11) 0.500000 Uiso 0.008795 Nb
O1 1.0 0.4922(10) 0.4360(13) 0.2669(10) Uiso 0.009537 O
O2 1.0 0.0975(11) 0.0868(11) 0.2514(11) Uiso 0.011450 O
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
YHo 0.00650 0.00560 0.01100 0.00000 0.00190 0.00000
YHo 0.00650 0.00560 0.01100 0.00000 0.00190 0.00000
TaNb 0.00770 0.00690 0.01180 0.00000 0.00108 0.00000
TaNb 0.00770 0.00690 0.01180 0.00000 0.00108 0.00000
O1 0.01000 0.00700 0.01200 -0.00200 0.00300 -0.00560
O2 0.01000 0.00900 0.01500 0.00200 -0.00040 -0.00230
