#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/00/4330027.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_4330027
loop_
_publ_author_name
'Chunmeng Liu'
'Hongbin Liang'
'Xiaojun Kuang'
'Jiuping Zhong'
'Shuaishuai Sun'
'Ye Tao'
_publ_section_title
;
 Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+
 under VUV-UV Excitation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8802
_journal_page_last               8809
_journal_paper_doi               10.1021/ic3006053
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'B5 Ca3 Ce0.3 La2.7 O15'
_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            4
_cell_length_a                   10.50803
_cell_length_b                   10.50803
_cell_length_c                   6.41329
_cell_volume                     613.273
_cod_data_source_file            ic3006053_Ca3La2.7.cif
_cod_data_source_block           c
_cod_original_cell_volume        613.2734
_cod_original_formula_sum        'Ca3 La2.7 Ce0.3 B5 O15'
_cod_database_code               4330027
loop_
_symmetry_equiv_pos_as_xyz
'-x, -x+y, z+1/2'
'-x, -y, z+1/2'
'-x+y, -x, z'
'-x+y, y, z'
'-y, -x, z'
'-y, x-y, z'
'y, -x+y, z+1/2'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'x-y, x, z+1/2'
'x, y, z'
'x, x-y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Ca1 Ca 0 0.47306 0.52694 0.76166 0.9722 1.0655
La2 La 0 0.47306 0.52694 0.76166 0 1.0655
Ce1 Ce 0 0.47306 0.52694 0.76166 0.029 1.0655
La1 La 0 0.15614 0.84386 0.08195 0.9023 1.0655
Ce2 Ce 0 0.15614 0.84386 0.08195 0.0722 1.0655
Ca2 Ca 0 0.15614 0.84386 0.08195 0.029 1.0655
B1 B 0 0.19834 0.80166 0.55005 1 0.7788
B2 B 0 0 0 0.25281 1 0.7788
B3 B 0 0.6666667 0.3333333 0.57958 1 0.7788
O1 O 0 0.62501 0.92788 0.44568 1 1.2978
O2 O 0 0.0751 0.9249 0.74073 1 1.2978
O3 O 0 0.59064 0.40936 0.56537 1 1.2978
O4 O 0 0.22744 0.77256 0.74216 1 1.2978
