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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/1/53/45/1534527.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_1534527
loop_
_publ_author_name
'Lesage, J.'
'Raveau, B.'
'Guesdon, A.'
_publ_section_title
;
 New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              697
_journal_page_last               703
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Cs Ga2 O16 P5'
_chemical_name_systematic        'Cs (Ga2 P5 O16)'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.731
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.462
_cell_length_b                   9.241
_cell_length_c                   10.103
_cell_volume                     651.559
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Lesage_SSSCFJ_2004_1472.cif
_cod_data_source_block           Cs1Ga2O16P5
_cod_original_cell_volume        651.5586
_cod_original_sg_symbol_Hall     'P -2yc (x-z,y,z)'
_cod_original_formula_sum        'Cs1 Ga2 O16 P5'
_cod_database_code               1534527
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,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
O11 O-2 0.9699 0.2973 0.4718 1 0.0
P2 P+5 0.0181 0.86052 0.6169 1 0.0
O3 O-2 0.5493 0.934 0.8281 1 0.0
O6 O-2 0.9981 0.0208 0.5909 1 0.0
O16 O-2 0.5565 0.4667 0.5466 1 0.0
Ga1 Ga+3 0.2127 0.36932 0.12749 1 0.0
P3 P+5 0.8084 0.70316 0.3608 1 0.0
O10 O-2 0.8885 0.5442 0.3562 1 0.0
P4 P+5 0 0.45501 0.5 1 0.0
O4 O-2 0.2287 0.8189 0.711 1 0.0
Ga2 Ga+3 0.1634 0.13851 0.51963 1 0.0
P5 P+5 0.3584 0.41494 0.4616 1 0.0
O1 O-2 0.3598 0.9875 0.5739 1 0.0
O14 O-2 0.3476 0.2534 0.4811 1 0.0
O7 O-2 0.9937 0.7827 0.4698 1 0.0
O9 O-2 0.6566 0.7014 0.4264 1 0.0
O13 O-2 0.2166 0.4933 0.5315 1 0.0
O8 O-2 0.7638 0.7692 0.2203 1 0.0
O12 O-2 0.9435 0.519 0.6151 1 0.0
Cs1 Cs+1 0.2548 0.80349 0.23614 1 0.0
P1 P+5 0.4242 0.87264 0.6879 1 0.0
O5 O-2 0.8855 0.8012 0.684 1 0.0
O15 O-2 0.2833 0.4604 0.3068 1 0.0
O2 O-2 0.502 0.7407 0.6409 1 0.0
