#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008432.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_9008432
loop_
_publ_author_name
'Noe D C'
'Hughes J M'
'Mariano A N'
'Drexler J W'
'Kato A'
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: unannealed sample
 Locality: Suishoyama, Japan
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               246
_journal_volume                  206
_journal_year                    1993
_chemical_formula_sum            'Ca0.2 F0.93 H Lu0.32 O12.07 Si3 Y4.48'
_chemical_name_mineral           Britholite-(Y)
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.0284
_cell_length_a                   9.4216
_cell_length_b                   9.4138
_cell_length_c                   6.7639
_cell_volume                     519.389
_[local]_cod_chemical_formula_sum_orig 'Y4.48 Lu.32 Ca.2 Si3 O12.07 F.93 H'
_cod_database_code               9008432
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y1a 0.33380 0.66620 0.00450 0.88000 0.03331
Lu1a 0.33380 0.66620 0.00450 0.12000 0.03331
Y1b 0.33290 0.66700 0.50780 0.80000 0.01102
Ca1b 0.33290 0.66700 0.50780 0.20000 0.01102
Y2a 0.99470 0.24220 0.25900 0.93000 0.02267
Lu2a 0.99470 0.24220 0.25900 0.07000 0.02267
Y2b 0.24230 0.24730 0.75700 0.94000 0.02216
Lu2b 0.24230 0.24730 0.75700 0.06000 0.02216
Y2c 0.24730 0.00500 0.25700 0.93000 0.02343
Lu2c 0.24730 0.00500 0.25700 0.07000 0.02343
Si1 0.02600 0.62700 0.25000 1.00000 0.01279
Si2 0.37270 0.39920 0.27400 1.00000 0.01406
Si3 0.60100 0.97380 0.25000 1.00000 0.01418
O1a 0.83200 0.50700 0.25900 1.00000 0.03040
O1b 0.49100 0.32200 0.27500 1.00000 0.03420
O1c 0.67500 0.16900 0.25500 1.00000 0.03040
O2a 0.40300 0.87040 0.23800 1.00000 0.02026
O2b 0.46800 0.59600 0.23600 1.00000 0.01773
O2c 0.13000 0.53360 0.28800 1.00000 0.02280
O3a 0.62800 0.89600 0.06200 1.00000 0.02280
O3b 0.68600 0.92500 0.44200 1.00000 0.02913
O3c 0.26600 0.36700 0.06100 1.00000 0.01900
O3d 0.23700 0.31000 0.43800 1.00000 0.03926
O3e 0.07500 0.76100 0.08500 1.00000 0.02913
O3f 0.10200 0.73300 0.46800 1.00000 0.02406
F 0.00000 0.99700 0.23100 0.93000 0.06713
O-H 0.00000 0.99700 0.23100 0.07000 0.06713