#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103717.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_8103717
loop_
_publ_author_name
'Redden, M.J.'
'Buerger, M.J.'
_publ_section_title
;
 Note on the symmetry and cell of calcium orthovanadate
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              459
_journal_page_last               460
_journal_volume                  129
_journal_year                    1969
_chemical_formula_sum            'Ba3 O8 P2'
_chemical_name_systematic        'Ba3 (P O4)2'
_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                42.58
_cell_angle_beta                 42.58
_cell_angle_gamma                42.58
_cell_formula_units_Z            1
_cell_length_a                   7.696
_cell_length_b                   7.696
_cell_length_c                   7.696
_cell_volume                     188.988
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Redden_ZEKGAX_1969_1848.cif
_cod_data_source_block           Ba3O8P2
_cod_original_cell_volume        188.9876
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_database_code               8103717
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
Ba2 Ba+2 0.208 0.208 0.208 1 0.0
O1 O-2 0.337 0.337 0.337 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.285 0.285 0.742 1 0.0
P1 P+5 0.412 0.412 0.412 1 0.0
