#------------------------------------------------------------------------------
#$Date: 2015-10-05 11:03:25 +0200 (lun 05 de oct de 2015) $
#$Revision: 159734 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533489.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_1533489
loop_
_publ_author_name
'Grover, V.'
'Patwe, S.J.'
'Achary, S.N.'
'Tyagi, A.K.'
_publ_section_title
;
 Synthesis and structural elucidation of Ba4 Nd3 F17: a powder XRD study
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              326
_journal_page_last               330
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Ba4 F17 Nd3'
_chemical_name_systematic        'Ba4 (Nd3 F17)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.2818
_cell_length_b                   11.2818
_cell_length_c                   20.7788
_cell_volume                     2290.382
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Grover_PODIE2_2002_9.cif
_cod_data_source_block           Ba4F17Nd3
_cod_database_code               1533489
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
F3 F-1 0.471 0.092 0.04 1 0.0
Nd1 Nd+3 0.0838 0.6132 0.0833 1 0.0
Ba1 Ba+2 0 0 0.2642 1 0.0
F8 F-1 0.948 0.916 0.493 0.167 0.0
F7 F-1 0 0 0 1 0.0
Ba2 Ba+2 0.2286 0.0321 0.0848 1 0.0
F4 F-1 0.207 0.504 0.049 1 0.0
F6 F-1 0 0 0.143 1 0.0
F5 F-1 0.25 0.345 0.175 1 0.0
F2 F-1 0.437 0.278 0.116 1 0.0
F1 F-1 0.046 0.79 0.032 1 0.0
