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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/1/54/17/1541739.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_1541739
loop_
_publ_author_name
'Effenberger, H.'
'Kluger, F.'
'Woelfel, E.R.'
'Paulus, H.'
_publ_section_title
;
 Crystal structure refinement of burbankite
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              161
_journal_page_last               170
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum
'C5 Ba0.51 Ca1.34 Ce0.21 La0.15 Na1.78 Nd0.06 O15 Pr0.03 Sr1.59'
_chemical_name_systematic
;
Na1.78 Ca1.34 Sr1.59 Ba.51 La.15 Ce.21 Pr.03 Nd.06 (C O3)5
;
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.512
_cell_length_b                   10.512
_cell_length_c                   6.492
_cell_volume                     621.269
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Effenberger_NJMMAW_1985_1975.cif
_cod_data_source_block
C5Ba0.51Ca1.34Ce0.21La0.15Na1.78Nd0.06O15Pr0.03Sr1.59
_cod_original_cell_volume        621.2692
_cod_original_formula_sum
;
C5 Ba0.51 Ca1.34 Ce0.21 La0.15 Na1.78 Nd0.06 O15 Pr0.03 Sr1.59
;
_cod_database_code               1541739
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
O4 O-2 0.775 -0.775 0.3536 1 0.0
La1 La+3 0.84172 -0.84172 0 0.05 0.0
Pr1 Pr+3 0.84172 -0.84172 0 0.01 0.0
C2 C+4 0 0 0.8302 1 0.0
Ca2 Ca+2 0.84172 -0.84172 0 0.15 0.0
Sr1 Sr+2 0.84172 -0.84172 0 0.53 0.0
Ca1 Ca+2 0.5231 -0.5231 0.3131 0.297 0.0
C3 C+4 0.3333 0.6667 0.4854 1 0.0
O3 O-2 0.4042 -0.4042 0.488 1 0.0
Ba1 Ba+2 0.84172 -0.84172 0 0.17 0.0
Na1 Na+1 0.5231 -0.5231 0.3131 0.593 0.0
O1 O-2 0.377 0.0824 0.6318 1 0.0
O2 O-2 0.9297 -0.9297 0.334 1 0.0
Nd1 Nd+3 0.84172 -0.84172 0 0.02 0.0
Ce1 Ce+3 0.84172 -0.84172 0 0.07 0.0
C1 C+4 0.7992 -0.7992 0.5378 1 0.0
