#------------------------------------------------------------------------------
#$Date: 2015-07-13 21:20:57 +0200 (lun 13 de jul de 2015) $
#$Revision: 150930 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528537.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_1528537
loop_
_publ_author_name
'Grenier, J.C.'
'Masse, R.'
_publ_section_title
;
 Mise au point sur la structure cristallographique de alpha-Sr2 P2 O7
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              285
_journal_page_last               292
_journal_volume                  90
_journal_year                    1967
_chemical_formula_sum            'O7 P2 Sr2'
_chemical_name_systematic        'Sr2 (P2 O7)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.87
_cell_length_b                   13.27
_cell_length_c                   5.39
_cell_volume                     634.429
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Grenier_BUFCAE_1967_381.cif
_cod_data_source_block           O7P2Sr2
_cod_original_cell_volume        634.4294
_cod_database_code               1528537
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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 0.2226 0.0332 0.5 1 0.0
O3 O-2 0.425 0.23 0.26 1 0.0
P2 P+5 0.47 0.1802 0.5 1 0.0
Sr1 Sr+2 0.173 0.239 0 1 0.0
O5 O-2 0.393 0.071 0.5 1 0.0
Sr2 Sr+2 0.3754 0.4126 0.5 1 0.0
O1 O-2 0.15 0.067 0.74 1 0.0
O7 O-2 0.634 0.163 0.5 1 0.0
O4 O-2 0.411 0.23 0.73 1 0.0
O6 O-2 0.232 -0.078 0.5 1 0.0
O2 O-2 0.15 0.077 0.27 1 0.0
