#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002527.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_4002527
loop_
_publ_author_name
'Millange, F.'
'Walton, R.I.'
'Guillou, N.'
'Ferey, G.'
'O'Hare, D.'
'Loiseau, T.'
_publ_section_title
;
 Synthesis and structure of low-dimensional gallium fluorodiphosphates
 seen during the crystallization of the three-dimensional microporous
 gallium fluorophosphate ULM-3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4448
_journal_page_last               4459
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'C3 H18 F Ga N2 O10 P2'
_chemical_name_systematic        'Ga (N H3 (C H2)3 N H3) (P2 O7) F (H2 O)3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.816
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5724
_cell_length_b                   7.1632
_cell_length_c                   9.978
_cell_volume                     647.618
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Millange_CMATEX_2002_1904.cif
_cod_data_source_block           C3H18F1Ga1N2O10P2
_cod_original_cell_volume        647.6184
_cod_original_formula_sum        'C3 H18 F1 Ga1 N2 O10 P2'
_cod_database_code               4002527
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
O5 O-2 0.832 -0.084 0.055 1 0.0
O3 O-2 0.392 0.25 -0.069 1 0.0
O1 O-2 0.32 0.25 0.1578 1 0.0
N2 N-3 0.649 0.25 0.156 1 0.0
P2 P+5 0.2671 0.25 -0.0095 1 0.0
Ga1 Ga+3 0 0 0 1 0.0
C3 C 0.788 0.25 0.273 1 0.0
N1 N-3 0.874 0.25 0.655 1 0.0
O6 O-2 0.621 0.25 0.837 1 0.0
C2 C 0.756 0.25 0.407 1 0.0
C1 C 0.899 0.25 0.5181 1 0.0
O8 O-2 0.5 0 0.5 1 0.0
O7 O-2 0.182 0.25 0.621 1 0.0
O4 O-2 0.12 0.075 0.215 1 0.0
P1 P+5 0.2092 0.25 0.2534 1 0.0
O2 O-2 0.295 0.25 0.408 1 0.0
F1 F-1 -0.078 0.25 -0.031 1 0.0
