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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/1/53/57/1535769.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_1535769
loop_
_publ_author_name
'Murashova, E.V.'
'Velikodnyi, Yu.A.'
'Trunov, V.K.'
_publ_section_title
;
 Crystal structure of double pyrophosphates Ba M' P2 O7 (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 O7 P2 Zn'
_chemical_name_systematic        'Ba Zn (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                102.68
_cell_angle_beta                 92.13
_cell_angle_gamma                94.08
_cell_formula_units_Z            2
_cell_length_a                   5.316
_cell_length_b                   7.309
_cell_length_c                   7.579
_cell_volume                     286.147
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Murashova_ZNOKAQ_1991_1112.cif
_cod_data_source_block           Ba1O7P2Zn1
_cod_original_cell_volume        286.1474
_cod_original_formula_sum        'Ba1 O7 P2 Zn1'
_cod_database_code               1535769
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
Ba1 Ba+2 0.20672 0.27544 0.43037 1 0.0
O5 O-2 0.7105 0.348 0.5721 1 0.0
O7 O-2 0.219 0.516 0.7547 1 0.0
O1 O-2 0.4628 0.107 0.7022 1 0.0
P2 P+5 0.2939 0.6866 0.9006 1 0.0
Zn1 Zn+2 0.204 0.1113 0.89314 1 0.0
O6 O-2 0.4336 0.2314 0.1021 1 0.0
P1 P+5 0.7074 0.2309 0.7135 1 0.0
O4 O-2 0.2679 0.6269 0.0913 1 0.0
O3 O-2 0.1105 -0.1578 0.9039 1 0.0
O2 O-2 -0.0631 0.1135 0.7016 1 0.0
