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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/68/1536848.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_1536848
loop_
_publ_author_name
'Faza, N.'
'Babel, D.'
'Treutmann, W.'
_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            'Ba2 Co O8 P2'
_chemical_name_systematic        'Ba2 Co (P O4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.68
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.298
_cell_length_b                   8.844
_cell_length_c                   16.144
_cell_volume                     756.382
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Faza_ZAACAB_2001_45.cif
_cod_data_source_block           Ba2Co1O8P2
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ba2 Co1 O8 P2'
_cod_database_code               1536848
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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 0.29047 0.29772 -0.01897 1 0.0
P1 P+5 0.7371 0.591 0.42239 1 0.0
O4 O-2 0.9776 0.6374 0.3748 1 0.0
O6 O-2 0.3577 0.7704 0.1677 1 0.0
P2 P+5 0.2479 0.6089 0.16541 1 0.0
O3 O-2 0.6499 0.4364 0.3895 1 0.0
Co1 Co+2 0.26952 0.48489 0.36482 1 0.0
Ba1 Ba+2 0.74364 0.84489 0.27009 1 0.0
O7 O-2 -0.0422 0.6113 0.1654 1 0.0
O8 O-2 0.3473 0.5251 0.2424 1 0.0
O5 O-2 0.3478 0.5289 0.0894 1 0.0
O1 O-2 0.7924 0.593 0.5145 1 0.0
O2 O-2 0.5253 0.703 0.4 1 0.0
