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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/1/52/95/1529538.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_1529538
loop_
_publ_author_name
'Alberti, G.'
'Constantino, U.'
'Perego, G.'
_publ_section_title
;
 Structural investigation on layered alpha-zirconium phosphite and
 zirconium phosphate-phosphites from X-ray powder data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              455
_journal_page_last               460
_journal_volume                  63
_journal_year                    1986
_chemical_formula_sum            'H2 O6 P2 Zr'
_chemical_name_systematic        'Zr (H P O3)2'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.418
_cell_length_b                   5.418
_cell_length_c                   5.579
_cell_volume                     141.829
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Alberti_JSSCBI_1986_1260.cif
_cod_data_source_block           H2O6P2Zr1
_cod_original_formula_sum        'H2 O6 P2 Zr1'
_cod_database_code               1529538
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
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
P1 P+5 0.3333 0.6667 0.298 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
H1 H-1 0.3333 0.6667 0.554 1 0.0
O1 O-2 0.18 0.82 0.214 1 0.0
