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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000207.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000207
loop_
_publ_author_name
'Robinson P D'
'Fang J H'
_publ_section_title
;
 The crystal structure of epididymite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1541
_journal_page_last               1549
_journal_volume                  55
_journal_year                    1970
_chemical_compound_source        'Narsarsuk, Greenland'
_chemical_formula_sum            'Be Na O8 Si3'
_chemical_name_mineral           Epididymite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.74
_cell_length_b                   13.63
_cell_length_c                   7.33
_cell_volume                     1272.827
_database_code_amcsd             0000212
_exptl_crystal_density_diffrn    2.555
_cod_original_formula_sum        'Na Be Si3 O8'
_cod_database_code               9000207
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.10300 0.06980 0.50140 0.02786
Be 0.49510 0.00020 0.34330 0.00633
Si1 0.15890 0.13800 0.01550 0.00380
Si2 0.34290 0.13660 0.73140 0.00380
Si3 0.33170 0.13780 0.30540 0.00507
O1 0.12070 0.25000 0.00050 0.01393
O2 0.21740 0.12340 0.20980 0.01140
O3 0.06030 0.06640 0.00670 0.00887
O4 0.23730 0.11420 0.84980 0.01267
O5 0.43450 0.06450 0.79070 0.01013
O6 0.37840 0.25000 0.76560 0.01013
O7 0.30480 0.12390 0.52040 0.00887
O8 0.37090 0.25000 0.26740 0.01013
O9 0.41510 0.06290 0.22560 0.01140
O10 0.05770 0.25000 0.48900 0.02913