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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/9/00/79/9007970.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_9007970
loop_
_publ_author_name
'Drob, T.'
'Glaum, R.'
_publ_section_title
;
 The langbeinite-type barium vanadium(III) orthophosphate, Ba3V4(PO4)6
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i58
_journal_page_last               i60
_journal_paper_doi               10.1107/S1600536804005689
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     Ba3V4(PO4)6
_chemical_formula_sum            'Ba1.5 O12 P3 V2'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8825
_cell_length_b                   9.8825
_cell_length_c                   9.8825
_cell_formula_units_Z            4
_cell_volume                     965.163
_exptl_crystal_density_diffrn    4.080
_cod_original_formula_sum        'Ba1.5 V2 P3 O12'
_cod_database_code               9007970
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba1 0.06743 0.06743 0.06743 0.77200 0.01820
Ba2 0.29438 0.29438 0.29438 0.72800 0.02820
V1 0.58620 0.58620 0.58620 1.00000 0.00730
V2 0.85303 0.85303 0.85303 1.00000 0.00860
P 0.62570 0.46081 0.27168 1.00000 0.00670
O1 0.65300 0.50150 0.41700 1.00000 0.02160
O2 0.75720 0.48410 0.19300 1.00000 0.02790
O3 0.57760 0.31360 0.26180 1.00000 0.02180
O4 0.52180 0.55170 0.20370 1.00000 0.02380
_cod_duplicate_entry 2203372
