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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530599.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_1530599
loop_
_publ_author_name
'Pobedimskaya, E.A.'
'Belov, N.V.'
_publ_section_title
;
 About the crystal structure of eudidymite Na Be Si3 O7 O H
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1448
_journal_page_last               1450
_journal_volume                  136
_journal_year                    1961
_chemical_formula_sum            'Be H Na O8 Si3'
_chemical_name_systematic        'Na Be (Si3 O7) (O H)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.75
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.63
_cell_length_b                   7.38
_cell_length_c                   14.02
_cell_volume                     1269.346
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pobedimskaya_DANKAS_1961_551.cif
_cod_data_source_block           H1Be1Na1O8Si3
_cod_original_formula_sum        'H1 Be1 Na1 O8 Si3'
_cod_database_code               1530599
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O6 O-2 0.4 0.096 0.105 1 0.0
O2 O-2 0.125 -0.07 0.184 1 0.0
O4 O-2 0.273 0.232 0.188 1 0.0
Si2 Si+4 0.027 0.03 0.118 1 0.0
O5 O-2 0.017 0.26 0.148 1 0.0
Na1 Na+1 0.119 0.725 0.005 1 0.0
O3 O-2 0.5 0 0 1 0.0
Si3 Si+4 0.326 0.285 0.102 1 0.0
O1 O-2 0.125 0.583 0.184 1 0.0
O8 O-2 0.402 0.433 0.12 1 0.0
O7 O-2 0.25 0.25 0 1 0.0
O9 O-2 0.305 0.815 0.18 1 0.0
Si1 Si+4 0.028 0.485 0.118 1 0.0
Be1 Be+2 0.19 0.715 0.208 1 0.0
