#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008192.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_9008192
loop_
_publ_author_name
'Susse, P.'
'Buerger, M. J.'
_publ_section_title
;
 The struture of of Ba3(VO4)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               174
_journal_paper_doi               10.1524/zkri.1970.131.1-6.161
_journal_volume                  131
_journal_year                    1970
_chemical_formula_structural     Ba3(VO4)2
_chemical_formula_sum            'Ba3 O8 V2'
_chemical_name_mineral           Gurimite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                43.14
_cell_angle_beta                 43.14
_cell_angle_gamma                43.14
_cell_length_a                   7.837
_cell_length_b                   7.837
_cell_length_c                   7.837
_cell_formula_units_Z            1
_cell_volume                     204.048
_database_code_amcsd             0010708
_exptl_crystal_density_diffrn    5.223
_cod_original_sg_symbol_H-M      'R -3 2/m'
_cod_original_formula_sum        'Ba3 V2 O8'
_cod_database_code               9008192
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-z,-y
-z,-x,-y
y,x,z
y,z,x
-z,-y,-x
-x,-y,-z
x,z,y
z,x,y
-y,-x,-z
-y,-z,-x
z,y,x
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
Bal 0.01988 0.01988 0.01988 -0.00911 -0.00911 -0.00911
Ba2 0.01203 0.01203 0.01203 -0.00519 -0.00519 -0.00519
V 0.01697 0.01697 0.01697 -0.00798 -0.00798 -0.00798
O1 0.03039 0.03039 0.03039 -0.01392 -0.01392 -0.01392
O2 0.01266 0.01266 0.01140 -0.00633 -0.00506 -0.00506
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bal 0.00000 0.00000 0.00000 0.02090
Ba2 0.20525 0.20525 0.20525 0.01216
V 0.40758 0.40758 0.40758 0.01798
O1 0.32780 0.32780 0.32780 0.03166
O2 0.27350 0.27350 0.75660 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010708
