#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015695.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_9015695
loop_
_publ_author_name
'Hervieu, M.'
'Rebbah, A.'
'Desgardin, G.'
'Raveau, B.'
_publ_section_title
;
 Layer Structuer: The Oxides A3 Ti5 M O14
 _cod_database_code 1001108
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              200
_journal_page_last               206
_journal_paper_doi               10.1016/0022-4596(80)90494-6
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Nb0.5 O7 Rb1.5 Ti2.5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.93
_cell_angle_gamma                90
_cell_length_a                   19.073
_cell_length_b                   3.814
_cell_length_c                   9.223
_cell_formula_units_Z            4
_cell_volume                     658.751
_database_code_amcsd             0013412
_exptl_crystal_density_diffrn    4.097
_cod_duplicate_entry             1001108
_cod_original_formula_sum        'Rb1.5 Ti2.5 Nb.5 O7'
_cod_database_code               9015695
_amcsd_formula_title             'Nb O14 Rb3 Ti5'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 -0.01200 0.00000 0.04900 0.50000
Rb2 0.07300 0.00000 0.62700 1.00000
Ti1 0.63170 0.00000 0.33300 0.55000
Nb1 0.63170 0.00000 0.33300 0.45000
Ti2 0.68560 0.00000 0.01400 0.95000
Nb2 0.68560 0.00000 0.01400 0.05000
Ti3 0.73280 0.00000 0.70800 1.00000
O1 0.53540 0.00000 0.36100 1.00000
O2 0.61000 0.00000 0.10600 1.00000
O3 0.66000 0.00000 0.81500 1.00000
O4 0.68300 0.00000 0.53800 1.00000
O5 0.74100 0.00000 0.26800 1.00000
O6 0.78800 0.00000 0.94600 1.00000
O7 0.85000 0.00000 0.65700 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013412
