#------------------------------------------------------------------------------
#$Date: 2016-12-24 08:09:03 +0200 (Sat, 24 Dec 2016) $
#$Revision: 189378 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/48/1544863.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_1544863
loop_
_publ_author_name
'Miyawaki, R.'
'Matsubara, S.'
'Yokoyama, K.'
'Shigeoka, M.'
'Momma, K.'
'Yamamoto, S.'
_publ_section_title
;
 Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri
 Valley, Komono, Mie Prefecture, central Japan Sample: not annealed
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              135
_journal_page_last               144
_journal_volume                  110
_journal_year                    2015
_chemical_formula_sum
'Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13'
_chemical_name_common            Y4Ti(SiO4)2O[F,OH]6
_chemical_name_mineral           mieite-(Y)
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9424(19)
_cell_length_b                   10.6332(15)
_cell_length_c                   7.0365(8)
_cell_volume                     1118.0(2)
_cod_data_source_file            mieite-Y.cif
_cod_data_source_block           mieite-Y
_cod_original_formula_sum
'Y3.13 Dy0.20 Ti0.52 Al0.44 Si1.91 P0.12 O10.91 F3.83'
_cod_database_code               1544863
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'-x, y, -z+1/2'
'x, -y, z+1/2'
'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+1/2'
'x+1/2, y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, 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
Y1 0.7700 0.14448(16) 0.4359(2) 0.250000 Uiso 0.041100 Y
Y1 0.2300 0.14448(16) 0.4359(2) 0.250000 Uiso 0.041100 Dy
Y2 0.7700 0.13098(14) 0.7943(2) 0.250000 Uiso 0.030333 Y
Y2 0.2300 0.13098(14) 0.7943(2) 0.250000 Uiso 0.030333 Dy
TiAl 0.5500 0.000000 0.000000 0.500000 Uiso 0.025000 Ti
TiAl 0.4500 0.000000 0.000000 0.500000 Uiso 0.025000 Al
Si 1.0 0.1549(7) 0.1201(7) 0.250000 Uiso 0.034333 Si
O1 1.0 0.0927(9) 0.1285(11) 0.056(2) Uiso 0.033333 O
O2 1.0 0.2903(13) 0.488(2) 0.250000 Uiso 0.041000 O
O3 1.0 0.2175(13) 0.249(2) 0.250000 Uiso 0.037667 O
O4 1.0 0.500000 0.438(3) 0.250000 Uiso 0.034000 O
F1 1.0 0.3591(9) 0.1149(11) 0.0605(18) Uiso 0.050667 F
F2 1.0 0.000000 0.395(5) 0.250000 Uiso 0.122667 F
F3 0.5500 0.000000 0.699(3) 0.250000 Uiso 0.024333 F
