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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/1/53/57/1535774.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_1535774
loop_
_publ_author_name
'Murashova, E.V.'
'Velikodnyi, Yu.A.'
'Trunov, V.K.'
_publ_section_title
;
 Crystal structures of double pyrophosphates BaM'P2O7 (M'=Zn,Cd)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              847
_journal_page_last               850
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Ba Cd O7 P2'
_chemical_name_systematic        'Ba Cd P2 O7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.64
_cell_angle_beta                 89.8
_cell_angle_gamma                93.27
_cell_formula_units_Z            2
_cell_length_a                   5.639
_cell_length_b                   7.047
_cell_length_c                   7.618
_cell_volume                     296.006
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Murashova_ZNOKAQ_1991_1113.cif
_cod_data_source_block           Ba1Cd1O7P2
_cod_original_formula_sum        'Ba1 Cd1 O7 P2'
_cod_database_code               1535774
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O1 O-2 0.495 0.101 0.687 1 0.0
O7 O-2 0.234 0.478 0.788 1 0.0
O6 O-2 0.479 0.237 0.118 1 0.0
O4 O-2 0.265 0.625 0.105 1 0.0
P2 P+5 0.2768 0.667 0.9047 1 0.0
O5 O-2 0.727 0.355 0.563 1 0.0
Cd1 Cd+2 0.2146 0.1493 0.9 1 0.0
O3 O-2 0.086 -0.19 0.894 1 0.0
P1 P+5 0.721 0.2321 0.7009 1 0.0
O2 O-2 -0.064 0.109 0.684 1 0.0
Ba1 Ba+2 0.2342 0.265 0.4343 1 0.0
