#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015043.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_9015043
loop_
_publ_author_name
'Nedjar, R.'
'Borel, M.'
'Leclaire, A.'
'Raveau, B.'
_publ_section_title
;
 Ba (Nb3 O8)2 * (H2 O): A novel lamellar niobate
 _cod_database_code 1001383
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              495
_journal_page_last               500
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Ba Nb6 O17'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.62
_cell_length_b                   21.61
_cell_length_c                   3.811
_cell_volume                     709.906
_database_code_amcsd             0014324
_exptl_crystal_density_diffrn    4.523
_cod_duplicate_entry             1001383
_cod_original_formula_sum        'Nb6 Ba O17'
_cod_database_code               9015043
_amcsd_formula_title             'Ba H2 Nb6 O17'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nb1 0.18600 0.36800 0.00000
Nb2 0.50000 0.23200 0.00000
Ba1 0.00000 0.00000 0.00000
O1 0.15000 0.36000 0.50000
O2 0.34000 0.43000 0.00000
O3 0.34000 0.30000 0.00000
O4 0.00000 0.29000 0.00000
O5 0.00000 0.43000 0.00000
O6 0.00000 0.50000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014324