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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008433.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_9008433
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: annealed 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            'Ca0.23 F0.93 H Lu0.14 O12.07 Si3 Y4.63'
_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                120.0121
_cell_length_a                   9.3619
_cell_length_b                   9.3636
_cell_length_c                   6.7306
_cell_volume                     510.903
_[local]_cod_chemical_formula_sum_orig 'Y4.63 Ca.23 Lu.14 Si3 O12.07 F.93 H'
_cod_database_code               9008433
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 0.33300 0.66660 0.98540 0.96000 0.01710
Ca1a 0.33300 0.66660 0.98540 0.04000 0.01710
Ca1b 0.33370 0.66670 0.48840 0.19000 0.00887
Y1b 0.33370 0.66670 0.48840 0.81000 0.00887
Y2a 0.99496 0.24204 0.23590 0.96000 0.01165
Lu2a 0.99496 0.24204 0.23590 0.04000 0.01165
Y2b 0.24209 0.24715 0.73740 0.95000 0.01241
Lu2b 0.24209 0.24715 0.73740 0.05000 0.01241
Y2c 0.24711 0.00505 0.23810 0.95000 0.01229
Lu2c 0.24711 0.00505 0.23810 0.05000 0.01229
Si1 0.02650 0.62820 0.25000 1.00000 0.00811
Si2 0.37120 0.39810 0.23340 1.00000 0.00760
Si3 0.60170 0.97310 0.23400 1.00000 0.00912
O1a 0.83200 0.50740 0.23600 1.00000 0.02280
O1b 0.49150 0.32360 0.25100 1.00000 0.02406
O1c 0.67620 0.16860 0.24200 1.00000 0.02533
O2a 0.40260 0.87190 0.21600 1.00000 0.01140
O2b 0.46890 0.59750 0.21700 1.00000 0.01393
O2c 0.12750 0.53120 0.27100 1.00000 0.01393
O3a 0.63780 0.89980 0.04800 1.00000 0.01520
O3b 0.68970 0.92680 0.42000 1.00000 0.02406
O3c 0.26150 0.36210 0.04600 1.00000 0.01140
O3d 0.23660 0.30950 0.41900 1.00000 0.02406
O3e 0.07310 0.76320 0.07000 1.00000 0.02280
O3f 0.10130 0.73860 0.44500 1.00000 0.01013
F 0.00030 0.00070 0.21200 0.93000 0.03040
O-H 0.00030 0.00070 0.21200 0.07000 0.03040