#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/00/4330029.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_4330029
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 Ce0.1 La2.9 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                   10.509484(63)
_cell_length_b                   10.509484(63)
_cell_length_c                   6.418076(72)
_cell_volume                     613.901(9)
_cod_data_source_file            ic3006053_Ca3La2.9.cif
_cod_data_source_block           e
_cod_original_cell_volume        613.901(10)
_cod_original_formula_sum        'Ca3 La2.9 Ce0.1 B5 O15'
_cod_database_code               4330029
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 0.47539(48) 0.52461(48) 0.7562(24) 0.9992 1.0659
La2 La 0 0.47539(48) 0.52461(48) 0.7562(24) 0 1.0659
Ce1 Ce 0 0.47539(48) 0.52461(48) 0.7562(24) 0.0021 1.0659
La1 La 0 0.15593(10) 0.84407(10) 0.0790(21) 0.9923 1.0659
Ce2 Ce 0 0.15593(10) 0.84407(10) 0.0790(21) 0.0077 1.0659
Ca2 Ca 0 0.15593(10) 0.84407(10) 0.0790(21) 0.0021 1.0659
B1 B 0 0.19950(57) 0.80050(57) 0.5573(22) 1 0.9366
B2 B 0 0 0 0.2707(56) 1 0.9366
B3 B 0 0.6666667 0.3333333 0.5585(58) 1 0.9366
O1 O 0 0.61649(96) 0.92429(59) 0.4475(13) 1 1.3815
O2 O 0 0.07582(27) 0.92418(27) 0.7839(33) 1 1.3815
O3 O 0 0.59149(56) 0.40851(56) 0.5686(48) 1 1.3815
O4 O 0 0.2261(10) 0.7739(10) 0.7537(14) 1 1.3815
