#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/43/1534357.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_1534357
loop_
_publ_author_name
'Chaunac, M.'
_publ_section_title
;
 Etude cristallographique du pyrophosphate de zirconium
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              424
_journal_page_last               429
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'O7 P2 Zr'
_chemical_name_systematic        'Zr (P2 O7)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.245
_cell_length_b                   8.245
_cell_length_c                   8.245
_cell_volume                     560.495
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Chaunac_BSCFAS_1971_321.cif
_cod_data_source_block           O7P2Zr1
_cod_original_cell_volume        560.4953
_cod_original_formula_sum        'O7 P2 Zr1'
_cod_database_code               1534357
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
O2 O-2 0.229 0.42 0.443 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
O3 O-2 0.44 0.231 0.42 1 0.0
O4 O-2 0.428 0.437 0.226 1 0.0
O1 O-2 0.5 0.5 0.5 1 0.0
P1 P+5 0.397 0.396 0.397 1 0.0
