#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011843.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_9011843
loop_
_publ_author_name
'Golovastikov, N. I.'
_publ_section_title
;
 The crystal structure of beryllonite (NaBePO4)
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              733
_journal_page_last               739
_journal_volume                  6
_journal_year                    1962
_chemical_compound_source        'Stoneham, Maine, USA'
_chemical_formula_sum            'Be Na O4 P'
_chemical_name_mineral           Beryllonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_length_a                   8.16
_cell_length_b                   7.79
_cell_length_c                   14.08
_cell_formula_units_Z            12
_cell_volume                     895.015
_database_code_amcsd             0015544
_exptl_crystal_density_diffrn    2.827
_cod_depositor_comments
;
 Fixing _atom_site_label values from 'Ol0' to 'O10'.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'Na Be P O4'
_cod_database_code               9011843
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.24800 0.00400 0.24800
Na2 0.74700 0.47200 0.08400
Na3 0.76300 0.03100 0.06900
Bel 0.91700 0.16100 0.23900
Be2 0.10300 0.66200 0.08200
Be3 0.43100 0.16500 0.09000
P1 0.92100 0.78800 0.23800
P2 0.10600 0.29100 0.08100
P3 0.43200 0.79000 0.09200
O1 0.43500 0.26600 0.19200
O2 0.06600 0.26800 0.18800
O3 0.25200 0.77400 0.12300
O4 0.73900 0.25300 0.21400
O5 0.94800 0.25300 0.02200
O6 0.55200 0.25200 0.01600
O7 0.94900 0.66400 0.15500
O8 0.23900 0.17100 0.05300
O9 0.53500 0.66400 0.14800
O10 0.92300 0.96400 0.19800
O11 0.16400 0.47300 0.06200
O12 0.49500 0.97100 0.11000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015544
