#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004202.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_9004202
loop_
_publ_author_name
'Grice, J. D.'
'Hawthorne, F. C.'
_publ_section_title
;
 Refinement of the crystal structure of leucophanite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              193
_journal_page_last               197
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'Be Ca F Na O6 Si2'
_chemical_name_mineral           Leucophanite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.401
_cell_length_b                   7.412
_cell_length_c                   9.990
_cell_formula_units_Z            4
_cell_volume                     548.014
_database_code_amcsd             0005227
_exptl_crystal_density_diffrn    2.948
_cod_original_formula_sum        'Na Ca Be Si2 O6 F'
_cod_database_code               9004202
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na 0.10210 0.67820 0.24650
Ca 0.07880 0.64620 0.75990
Be 0.12000 0.35920 0.53070
Si1 0.10000 0.35800 0.02410
Si2 0.23710 0.99170 0.99940
O1 0.09120 0.35480 0.86450
O2 0.14830 0.15800 0.08950
O3 0.09860 0.91360 0.41110
O4 0.08000 0.91290 0.90300
O5 0.17690 0.16260 0.59350
O6 0.25530 0.50760 0.58920
F 0.12160 0.35260 0.37290
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005227
