#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/44/9004425.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_9004425
loop_
_publ_author_name
'Grice, J. D.'
_publ_section_title
;
 The crystal structure of shomiokite-(Y)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              649
_journal_page_last               655
_journal_volume                  34
_journal_year                    1996
_chemical_formula_sum            'C3 Na3 O12 Y'
_chemical_name_mineral           Shomiokite-(Y)
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.042
_cell_length_b                   17.349
_cell_length_c                   5.948
_cell_formula_units_Z            4
_cell_volume                     1036.253
_database_code_amcsd             0005499
_exptl_crystal_density_diffrn    2.474
_cod_original_formula_sum        'Y Na3 C3 O12'
_cod_database_code               9004425
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y 0.32164 0.16175 0.00000
Na1 0.62620 0.04720 0.27820
Na2 -0.01550 -0.08100 -0.22270
Na3 0.36110 0.36270 0.28710
C1 -0.19500 0.19410 0.27400
C2 0.12100 0.07770 -0.23000
C3 0.55100 0.10160 -0.22200
O1 -0.11670 0.20330 0.45000
O2 0.23140 0.24640 -0.27100
O3 -0.20080 0.13110 0.17100
O4 0.09020 0.12640 -0.06400
O5 0.24740 0.06740 -0.26300
O6 0.03030 0.04600 -0.34400
O7 0.50020 0.06260 -0.05700
O8 -0.00440 0.33220 0.23400
O9 0.65370 0.07660 -0.32700
O10 0.19150 0.22650 0.29000
O11 0.48420 0.19490 0.29300
O12 0.27840 0.06480 0.28600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005499
