#------------------------------------------------------------------------------
#$Date: 2021-10-04 02:28:04 +0300 (Mon, 04 Oct 2021) $
#$Revision: 269514 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/47/1564796.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_1564796
loop_
_publ_author_name
'Simura, R.'
'Yamane, H.'
'Sakamura, T.'
'Sugiyama, K.'
_publ_section_title
;
 In-house-built single-crystal anomalous X-ray diffraction measurement
 system using white X-rays and an energy dispersive detector
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              594
_journal_page_last               600
_journal_paper_doi               10.2109/jcersj2.21046
_journal_volume                  129
_journal_year                    2021
_chemical_formula_sum            'B3 O9 Sr3 Y'
_chemical_name_common            Sr3Y(BO3)3
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            6
_cell_length_a                   12.4956(3)
_cell_length_b                   12.4956(3)
_cell_length_c                   9.2644(2)
_cell_volume                     1252.74(5)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            Sr3YB3O9.cif
_cod_data_source_block           SrY3B3O9
_cod_original_cell_volume        1252.743387
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Sr3 Y1 B3 O9'
_cod_database_code               1564796
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -y,x-y,z
4 y,-x+y,-z
5 -x+y,-x,z
6 x-y,x,-z
7 x+2/3,y+1/3,z+1/3
8 -x+2/3,-y+1/3,-z+1/3
9 -y+2/3,x-y+1/3,z+1/3
10 y+2/3,-x+y+1/3,-z+1/3
11 -x+y+2/3,-x+1/3,z+1/3
12 x-y+2/3,x+1/3,-z+1/3
13 x+1/3,y+2/3,z+2/3
14 -x+1/3,-y+2/3,-z+2/3
15 -y+1/3,x-y+2/3,z+2/3
16 y+1/3,-x+y+2/3,-z+2/3
17 -x+y+1/3,-x+2/3,z+2/3
18 x-y+1/3,x+2/3,-z+2/3
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
SrY1 0.8134(8) 0.000000 0.000000 0.000000 Uani 0.0179(2) Sr
YSr1 0.1866(8) 0.000000 0.000000 0.000000 Uani 0.0179(2) Y
Y2 0.5000 0.000000 0.000000 0.4736(2) Uani 0.0224(6) Y
SrY3a 0.783(2) 0.25514(7) 0.37562(7) 0.0238(2) Uani 0.0221(2) Sr
YSr3a 0.0312(2) 0.25514(7) 0.37562(7) 0.0238(2) Uani 0.0221(2) Y
Sr3b 0.1866(8) 0.2286(4) 0.3514(4) 0.0201(6) Uani 0.0221(2) Sr
B1 1.0 0.0512(4) 0.2026(3) 0.2485(5) Uani 0.0202(8) B
O1a 0.8134(8) 0.0557(4) 0.1762(4) 0.3895(4) Uani 0.0387(9) O
O1b 0.1866(8) 0.003(2) 0.198(2) 0.397(2) Uani 0.0387(9) O
O2a 0.8134(8) 0.2698(4) 0.0208(5) 0.2034(6) Uani 0.042(2) O
O2b 0.1866(8) 0.234(2) -0.016(2) 0.155(3) Uani 0.042(2) O
O3a 0.8134(8) 0.1265(4) 0.1817(4) 0.1562(5) Uani 0.0386(9) O
O3b 0.1866(8) 0.113(2) 0.146(2) 0.240(2) Uani 0.0386(9) O
