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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009871.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_9009871
loop_
_publ_author_name
'Loiseau T'
'Paulet C'
'Ferey G'
_publ_section_title
;
 Crystal structure determination of the hydrated gallium phosphate GaPO4*2H2O, analog of variscite
;
_journal_name_full               'Solid State Chemistry and Crystal Chemistry'
_journal_page_first              667
_journal_page_last               674
_journal_volume                  1
_journal_year                    1998
_chemical_formula_sum            'Ga H4 O6 P'
_[local]_cod_chemical_formula_sum_orig 'Ga P O6 H4'
_chemical_name_mineral           GaP04*2H20
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.9260
_cell_length_b                   8.6189
_cell_length_c                   9.7622
_cell_volume                     835.168
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ga 0.13230 0.15390 0.17040 0.00900
P 0.14970 0.46820 0.35540 0.00800
O1 0.11050 0.29890 0.32330 0.01200
O2 0.04770 0.58270 0.29210 0.01200
O3 0.28880 0.50460 0.29560 0.01200
O4 0.14830 0.48600 0.51220 0.01100
OW1 0.05770 0.33360 0.05680 0.01500
OW2 0.30880 0.23290 0.11140 0.01300
H11 0.06440 0.30810 -0.03940 0.06400
H12 -0.01250 0.35480 0.07400 0.06400
H21 0.31500 0.31730 0.08650 0.02800
H22 0.36250 0.17390 0.12280 0.10800