#------------------------------------------------------------------------------
#$Date: 2015-09-06 19:25:41 +0200 (dom 06 de sep de 2015) $
#$Revision: 154914 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106681.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106681
loop_
_publ_author_name
'Gebert, W.'
'Tillmanns, E.'
_publ_section_title
;
 Die Kristallstruktur von Dizirkondiorthophosphat
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1768
_journal_page_last               1770
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O9 P2 Zr2'
_chemical_name_systematic        'Zr2 O (P O4)2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.624
_cell_length_b                   8.637
_cell_length_c                   11.872
_cell_volume                     679.215
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Gebert_ACBCAR_1975_47.cif
_cod_data_source_block           O9P2Zr2
_cod_original_cell_volume        679.2148
_cod_database_code               2106681
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-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
Zr1 Zr+4 0 0.20583 0.43737 1 0.0
O1 O-2 0.17589 0.19016 0.08489 1 0.0
O3 O-2 0.5 0 0 1 0.0
P1 P+5 0 0.1063 0.14711 1 0.0
O4 O-2 0.5 0.4359 0.12334 1 0.0
O2 O-2 0.5 0.13805 0.22866 1 0.0
