#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/46/9004686.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_9004686
loop_
_publ_author_name
'Grice, J. D.'
'Hawthorne, F. C.'
_publ_section_title
;
 New data on meliphanite, Ca4(Na,Ca)4Be4AlSi7O24(F,O)4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              971
_journal_page_last               980
_journal_paper_doi               10.2113/gscanmin.40.3.971
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'Al Be4 Ca4 F4 Na4 O24 Si7'
_chemical_name_mineral           Meliphanite
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5257
_cell_length_b                   10.5257
_cell_length_c                   9.8868
_cell_formula_units_Z            2
_cell_volume                     1095.362
_database_code_amcsd             0005779
_exptl_crystal_density_diffrn    2.947
_cod_original_formula_sum        'Ca4 Na4 Al Si7 Be4 O24 F4'
_cod_database_code               9004686
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.25462 0.09040 0.25568 0.01020
Na 0.23900 0.08693 0.75073 0.02420
Al 0.00000 0.00000 0.00000 0.00630
Si1 0.00000 0.00000 0.50000 0.00690
Si2 0.50000 0.00000 0.00573 0.00960
Si3 0.25251 0.88834 0.97402 0.00850
Be 0.24830 0.89319 0.47330 0.00850
O1 0.25297 0.25601 0.08835 0.00930
O2 0.12502 0.96902 0.40747 0.01080
O3 0.12831 0.95323 0.90262 0.01010
O4 0.37662 0.95923 0.40499 0.00930
O5 0.37771 0.96106 0.90772 0.01100
O6 0.25369 0.89533 0.13478 0.00960
F 0.24825 0.89211 0.63154 0.01390
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005779
