#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000010.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_9000010
loop_
_publ_author_name
'Pauling, L.'
'Klug, H. P.'
'Winchell, A. N.'
_publ_section_title
;
 The crystal structure of swedenborgite, NaBe4SbO7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              492
_journal_page_last               501
_journal_volume                  20
_journal_year                    1935
_chemical_compound_source        'not given'
_chemical_formula_sum            'Be4 Na O7 Sb'
_chemical_name_mineral           Swedenborgite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.47
_cell_length_b                   5.47
_cell_length_c                   8.92
_cell_formula_units_Z            2
_cell_volume                     231.137
_database_code_amcsd             0000013
_exptl_crystal_density_diffrn    4.207
_cod_original_formula_sum        'Sb Na Be4 O7'
_cod_database_code               9000010
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb 0.33333 0.66667 0.00000
Na 0.33333 0.66667 0.62500
Be1 0.00000 0.00000 0.06250
Be2 0.16667 -0.16667 0.31250
O1 0.00000 0.00000 0.37500
O2 0.50000 -0.50000 0.37500
O3 0.16667 -0.16667 0.12500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000013
