#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/38/9013840.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_9013840
loop_
_publ_author_name
'Onac, B. P.'
'Bernhardt, H. J.'
'Effenberger, H.'
_publ_section_title
;
 Authigenic burbankite in the Cioclovina Cave sediments (Romania)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.1127/0935-1221/2009/0021-1916
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'Cioclovina Cave sediments, Romania'
_chemical_formula_sum
'C5 Ba0.33 Ca0.99 Ce0.15 La0.06 Na2.46 Nd0.06 O15 Pr0.03 Sr1.71 Th0.09 Y0.09'
_chemical_name_mineral           Burbankite
_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_length_a                   10.514
_cell_length_b                   10.514
_cell_length_c                   6.477
_cell_formula_units_Z            2
_cell_volume                     620.070
_database_code_amcsd             0007286
_exptl_crystal_density_diffrn    3.549
_cod_original_formula_sum
'Na2.46 Ca.99 Sr1.71 Ba.33 Y.09 Ce.15 La.06 Nd.06 Pr.03 Th.09 C5 O15'
_cod_database_code               9013840
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NaA 0.52343 -0.52343 0.31280 0.82000 0.02220
CaA 0.52343 -0.52343 0.31280 0.17000 0.02220
SrB 0.84125 -0.84125 0.00000 0.57000 0.01472
CaB 0.84125 -0.84125 0.00000 0.16000 0.01472
BaB 0.84125 -0.84125 0.00000 0.11000 0.01472
YB 0.84125 -0.84125 0.00000 0.03000 0.01472
CeB 0.84125 -0.84125 0.00000 0.05000 0.01472
LaB 0.84125 -0.84125 0.00000 0.02000 0.01472
NdB 0.84125 -0.84125 0.00000 0.02000 0.01472
PrB 0.84125 -0.84125 0.00000 0.01000 0.01472
ThB 0.84125 -0.84125 0.00000 0.03000 0.01472
C1 0.79990 -0.79990 0.53720 1.00000 0.01510
C2 0.00000 0.00000 0.83130 1.00000 0.01720
C3 0.33333 0.66667 0.49000 1.00000 0.01770
O1 0.37490 0.08150 0.63080 1.00000 0.02400
O2 0.93040 -0.93040 0.33530 1.00000 0.03160
O3 0.40439 -0.40439 0.48640 1.00000 0.02420
O4 0.77560 -0.77560 0.35330 1.00000 0.02450
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007286
