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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/17/1511741.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_1511741
loop_
_publ_author_name
'Timchenko, T.I.'
'Al'shinskaya, L.I.'
'Belov, N.V.'
'Leonyuk, N.I.'
'Simonov, M.A.'
'Belokoneva, E.L.'
_publ_section_title
;
 Crystal structure of Nd Ga3 (B O3)4
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              382
_journal_page_last               384
_journal_volume                  19
_journal_year                    1978
_chemical_formula_sum            'B4 Ga3 Nd O12'
_chemical_name_systematic        'Nd Ga3 (B O3)4'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.5
_cell_length_b                   9.5
_cell_length_c                   7.502
_cell_volume                     586.347
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            boron4-x_74.cif
_cod_data_source_block           B4Ga3Nd1O12
_cod_original_cell_volume        586.3472
_cod_original_formula_sum        'B4 Ga3 Nd1 O12'
_cod_database_code               1511741
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.4507 0.1467 0.5192 1 0.0
Ga1 Ga+3 0.5524 0 0 1 0.0
O1 O-2 0.8539 0 0.5 1 0.0
B2 B+3 0.444 0 0.5 1 0.0
O2 O-2 0.5905 0 0.5 1 0.0
B1 B+3 0 0 0.5 1 0.0
Nd1 Nd+3 0 0 0 1 0.0
