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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536852.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_1536852
loop_
_publ_author_name
'Faza, N.'
'Treutmann, W.'
'Babel, D.'
_publ_section_title
;
 Struktur- und magnetochemische Untersuchungen an den ternaeren Phosphaten
 Ba2 M(II) (P O4)2 (M(II) = Mn, Co) und Strukturverfeinerung von Ba Ni2 (P
 O4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              687
_journal_page_last               692
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ba Ni2 O8 P2'
_chemical_name_systematic        'Ba Ni2 (P O4)2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.8
_cell_length_b                   4.8
_cell_length_c                   23.273
_cell_volume                     464.371
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Faza_ZAACAB_2001_46.cif
_cod_data_source_block           Ba1Ni2O8P2
_cod_original_cell_volume        464.3715
_cod_original_formula_sum        'Ba1 Ni2 O8 P2'
_cod_database_code               1536852
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
O2 O-2 0.3424 0.3643 0.21847 1 0.0
Ni1 Ni+2 0 0 0.16894 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
P1 P+5 0.3333 0.6667 0.24003 1 0.0
O1 O-2 0.3333 0.6667 0.30463 1 0.0
