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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009380.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009380
loop_
_publ_author_name
'Hughes, J. M.'
'Mariano, A. N.'
'Drexler, J. W.'
_publ_section_title
;Crystal structures of synthetic Na-REE-Si oxyapatites, synthetic monoclinic
 britholite Locality: synthetic
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              311
_journal_page_last               319
_journal_volume                  1992
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F0.19 Gd4.405 Na0.595 O12.81 Si3'
_chemical_name_mineral           Britholite-(Gd)
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120.01
_cell_length_a                   9.410
_cell_length_b                   9.413
_cell_length_c                   6.8740
_cell_formula_units_Z            2
_cell_volume                     527.247
_database_code_amcsd             0014863
_exptl_crystal_density_diffrn    6.294
_cod_original_formula_sum        '(Gd4.405 Na.595) Si3 O12.81 F.19'
_cod_database_code               9009380
loop_
_space_group_symop_operation_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
Gd1a 0.33358 0.66488 -0.00030 0.63600 0.00519
Na1a 0.33358 0.66488 -0.00030 0.36400 0.00519
Gd1b 0.33300 0.66820 0.50050 0.82100 0.01115
Na1b 0.33300 0.66820 0.50050 0.17900 0.01115
Gd2a -0.00843 0.23358 0.25160 0.98500 0.00570
Na2a -0.00843 0.23358 0.25160 0.01500 0.00570
Gd2b 0.23361 0.24200 0.75150 0.98300 0.00562
Na2b 0.23361 0.24200 0.75150 0.01700 0.00562
Gd2c 0.24197 0.00841 0.25310 0.98000 0.00540
Na2c 0.24197 0.00841 0.25310 0.02000 0.00540
Si1 0.02780 0.62880 0.25000 1.00000 0.00481
Si2 0.37180 0.39900 0.25300 1.00000 0.00570
Si3 0.60070 0.97200 0.25900 1.00000 0.00545
O1a 0.83060 0.51460 0.24900 1.00000 0.01317
O1b 0.48540 0.31640 0.26400 1.00000 0.01178
O1c 0.68400 0.16890 0.25800 1.00000 0.01381
O2a 0.40160 0.87620 0.26200 1.00000 0.01115
O2b 0.47390 0.59710 0.24900 1.00000 0.01115
O2c 0.12520 0.52610 0.25800 1.00000 0.00899
O3a 0.64050 0.89710 0.05800 1.00000 0.00633
O3b 0.67960 0.92170 0.43300 1.00000 0.00887
O3c 0.25550 0.35900 0.05700 1.00000 0.00887
O3d 0.24220 0.32140 0.43300 1.00000 0.00887
O3e 0.07940 0.75710 0.07800 1.00000 0.00760
O3f 0.10420 0.74600 0.45500 1.00000 0.01140
O 0.00070 0.00040 0.23100 0.81000 0.01773
F 0.00070 0.00040 0.23100 0.19000 0.01773
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014863
