#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004957.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_2004957
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1326
_journal_page_last    	1329
_publ_section_title    	
;
Two Hydrous Divalent-Metal Diarsenates
;
_chemical_formula_iupac    	'Mg2 As2 O7 , 2H2 O'
_chemical_formula_moiety    	'Mg2 As2 O7 (H2 O)2'
_chemical_formula_sum    	'As2 H4 Mg2 O9'
_chemical_formula_weight    	346.5
_symmetry_cell_setting    	'Monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-1/2+x,1/2-y,1/2+z
-x,-y,-z
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	6.499(1)
_cell_length_b    	14.191(4)
_cell_length_c    	7.607(2)
_cell_angle_alpha    	90
_cell_angle_beta    	93.95(2)
_cell_angle_gamma    	90
_cell_volume    	699.9(8)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	3.288
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg(1) -.0441(2) .2486(1) .6374(2) .008(1)
Mg(2) -.2632(2) .3846(1) .9126(2) .008(1)
As(1) .4429(1) .3144(1) .5539(1) .006(1)
As(2) .2378(1) .4193(1) .8452(1) .006(1)
O(1) .6545(4) .2901(2) .6837(4) .009(1)
O(2) .4816(4) .3435(2) .3489(4) .010(1)
O(3) .2627(4) .2314(2) .5752(4) .009(1)
O(4) .3364(4) .4179(2) .6356(4) .009(1)
O(5) .1878(4) .5312(2) .8798(4) .011(1)
O(6) .4281(4) .3695(2) .9731(4) .009(1)
O(7) .0254(4) .3521(2) .8307(4) .010(1)
O(8) -.0594(5) .3453(2) .4258(4) .020(1)
O(9) -.2634(5) .4972(2) .7419(4) .017(1)
H(1) -0.1130 0.5140 0.7443 0.050
H(2) -0.2383 0.4628 0.6365 0.050
H(3) -0.1796 0.3652 0.3799 0.050
H(4) 0.0460 0.3150 0.3317 0.050