#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536763.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_1536763
loop_
_publ_author_name
'Yakubovich, O.V.'
'Dimitrova, O.V.'
'Savina, G.V.'
_publ_section_title
;
 Synthesis and crystal structure of chromium polyphosphate Cr (P O3)3
;
_journal_name_full               Kristallografiya
_journal_page_first              486
_journal_page_last               489
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cr O9 P3'
_chemical_name_systematic        'Cr (P O3)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.367
_cell_length_b                   6.344
_cell_length_c                   10.544
_cell_volume                     620.472
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Yakubovich_KRISAJ_1991_1125.cif
_cod_data_source_block           Cr1O9P3
_cod_original_cell_volume        620.4715
_cod_original_sg_symbol_Hall     'C -2yc (x+z,y,-x)'
_cod_original_formula_sum        'Cr1 O9 P3'
_cod_database_code               1536763
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,z
x+1/2,y+1/2,z+1/2
x+1,-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
P1 P+5 0.252 0.5577 -0.003 1 0.0
O1 O-2 0.611 0.217 0.475 1 0.0
O8 O-2 0.667 0.93 0.873 1 0.0
O6 O-2 0.396 0.696 0.084 1 0.0
Cr1 Cr+3 0.25 0.246 0.25 1 0.0
O3 O-2 0.301 0.007 0.148 1 0.0
O9 O-2 0.7 0.946 0.598 1 0.0
P3 P+5 0.5651 0.4086 0.3856 1 0.0
O2 O-2 0.05 0.142 0.218 1 0.0
O4 O-2 0.299 0.068 0.39 1 0.0
P2 P+5 0.4409 0.5872 0.6106 1 0.0
O5 O-2 0.495 0.935 0.969 1 0.0
O7 O-2 0.933 0.882 0.784 1 0.0
