#------------------------------------------------------------------------------
#$Date: 2016-12-24 00:52:18 +0200 (Sat, 24 Dec 2016) $
#$Revision: 189371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/48/1544859.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_1544859
loop_
_publ_author_name
'Michiba, K.'
'Miyawaki, R.'
'Minakawa, T.'
'Terada, Y.'
'Nakai, I.'
'Matsubara, S.'
_publ_section_title
;
 Crystal structure of hydroxylbastnasite-(Ce) from Kamihouri, Miyazaki
 Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              326
_journal_page_last               334
_journal_volume                  108
_journal_year                    2013
_chemical_formula_sum
'C H0.85 Ce0.49 Eu0.01 F0.15 Gd0.01 La0.21 Nd0.16 O3.85 Pr0.06 Sm0.02 Th0.01 Y0.03'
_chemical_name_common            Ce(CO3)OH
_chemical_name_mineral           hydroxylbastnasite-(Ce)
_space_group_IT_number           174
_space_group_name_H-M_alt        'P -6'
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.4730(9)
_cell_length_b                   12.4730(9)
_cell_length_c                   9.9607(14)
_cell_volume                     1342.0(2)
_cod_data_source_file            hydroxylbastnasite-Ce.cif
_cod_data_source_block           hydroxylbastnasite-Ce
_cod_original_formula_sum
'Ce0.49 La0.21 Nd0.16 Pr0.06 Y0.03 Sm0.02 Gd0.01 Th0.01 Eu0.01 C1 O3.85 H0.85 F0.15'
_cod_database_code               1544859
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ce1 1.0 0.10783(9) 0.22796(6) 0.23530(5) Uiso 0.008978 Ce
Ce2 1.0 0.77882(16) 0.56268(6) 0.2542(2) Uiso 0.013722 Ce
Ce3 1.0 0.43856(6) 0.54375(7) 0.25769(18) Uiso 0.010711 Ce
C1 1.0 0.8655(15) 0.5103(15) 0.000000 Uiso 0.030000 C
C2 1.0 -0.0902(11) 0.1104(10) 0.000000 Uiso 0.007000 C
C3 1.0 0.3037(14) 0.4637(14) 0.000000 Uiso 0.025000 C
C4 1.0 0.5531(14) 0.4206(15) 0.500000 Uiso 0.026000 C
C5 1.0 0.5356(13) 0.7746(13) 0.500000 Uiso 0.017000 C
C6 1.0 -0.0247(13) 0.1777(13) 0.500000 Uiso 0.016000 C
O1 1.0 0.7601(11) 0.5088(11) 0.000000 Uiso 0.034000 O
O2 1.0 0.9117(7) 0.5098(7) 0.1118(7) Uiso 0.017800 O
O3 1.0 0.0286(9) 0.1691(9) 0.000000 Uiso 0.016800 O
O4 1.0 0.2316(7) 0.1469(7) 0.1119(7) Uiso 0.013900 O
O5 1.0 0.4114(13) 0.5726(13) 0.000000 Uiso 0.040000 O
O6 1.0 0.2516(7) 0.4173(7) 0.1117(8) Uiso 0.025600 O
O7 1.0 0.8033(11) 0.5032(11) 0.500000 Uiso 0.030000 O
O8 1.0 0.5796(7) 0.4838(7) 0.3884(7) Uiso 0.018600 O
O9 1.0 0.3638(11) 0.5249(11) 0.500000 Uiso 0.033000 O
O10 1.0 0.5671(7) 0.7415(7) 0.3879(7) Uiso 0.021800 O
O11 1.0 0.0822(7) 0.1794(7) 0.500000 Uiso 0.004300 O
O12 1.0 -0.0721(7) 0.1799(7) 0.3875(7) Uiso 0.014200 O
O13 1.0 0.000000 0.000000 0.2723(10) Uiso 0.009100 O
O14 1.0 0.666667 0.333333 0.2377(14) Uiso 0.027000 O
O15 1.0 0.333333 0.666667 0.2356(13) Uiso 0.023000 O
O16 1.0 0.9998(7) 0.6804(7) 0.3218(7) Uiso 0.016800 O
O17 1.0 0.6532(7) 0.6543(7) 0.1778(7) Uiso 0.020400 O
