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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007980.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007980
loop_
_publ_author_name
'Goriounova, A.'
'Held, P.'
'Becker, P.'
'Bohaty, L.'
_publ_section_title
;
 Europium triborate, EuB3O6
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i131
_journal_page_last               i133
_journal_paper_doi               10.1107/S1600536804024353
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     EuB3O6
_chemical_formula_sum            'B3 Eu O6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.700
_cell_angle_gamma                90
_cell_length_a                   6.2830
_cell_length_b                   8.0331
_cell_length_c                   7.8406
_cell_formula_units_Z            4
_cell_volume                     394.906
_exptl_crystal_density_diffrn    4.716
_cod_original_formula_sum        'Eu B3 O6'
_cod_database_code               9007980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Eu 0.00551 0.00524 0.00330 0.00000 0.00048 0.00000
B1 0.00870 0.00600 0.00270 0.00050 0.00060 -0.00010
B2 0.00800 0.00290 0.00200 0.00000 0.00070 0.00000
O1 0.00840 0.01050 0.00480 -0.00250 0.00120 -0.00250
O2 0.01690 0.00540 0.00670 0.00340 0.00110 -0.00060
O3 0.00800 0.00850 0.00650 0.00200 0.00110 0.00520
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Eu 0.25000 0.29835 0.50000 0.00430
B1 0.36120 -0.06480 0.27430 0.00560
B2 0.75000 0.27980 0.50000 0.00400
O1 -0.10290 0.38810 0.60440 0.00800
O2 0.30110 0.09060 0.29770 0.00930
O3 0.60570 0.18620 0.60110 0.00720
_cod_duplicate_entry 2204580
