#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/13/1541318.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_1541318
loop_
_publ_author_name
'Norin, R.'
_publ_section_title
;
 The crystal structure of Nb12 O29 (orh)
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1391
_journal_page_last               1404
_journal_volume                  17
_journal_year                    1963
_chemical_formula_sum            'Nb12 O29'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.835
_cell_length_b                   20.72
_cell_length_c                   28.9
_cell_volume                     2296.429
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Norin_ACSAA4_1963_360.cif
_cod_data_source_block           Nb12O29
_cod_database_code               1541318
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
O10 O 0 0.85 0.25 1 0.0
Nb3 Nb 0 0.852 0.049 1 0.0
Nb2 Nb 0 0.67 0.049 1 0.0
O8 O 0 0.94 0.18 1 0.0
O7 O 0 0.35 0.19 1 0.0
O15 O 0 0.95 0.05 1 0.0
O13 O 0 0.76 0.05 1 0.0
Nb4 Nb 0 0.034 0.184 1 0.0
Nb6 Nb 0 0.852 0.187 1 0.0
O11 O 0 0.58 0.05 1 0.0
O16 O 0 0.04 0.12 1 0.0
O6 O 0 0.76 0.18 1 0.0
O1 O 0 0.04 0.25 1 0.0
Nb1 Nb 0 0.033 0.049 1 0.0
O2 O 0 0.66 0.11 1 0.0
O9 O 0 0.66 0.25 1 0.0
O5 O 0 0.14 0.19 1 0.0
O12 O 0 0.16 0.03 1 0.0
O4 O 0 0.55 0.18 1 0.0
O14 O 0 0.34 0.02 1 0.0
Nb5 Nb 0 0.669 0.185 1 0.0
O3 O 0 0.85 0.12 1 0.0
