#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/49/2004957.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
_publ_section_title
;
Two Hydrous Divalent-Metal Diarsenates
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              1326
_journal_page_last               1329
_journal_volume                  52
_journal_year                    1996
_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
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.95(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.499(1)
_cell_length_b                   14.191(4)
_cell_length_c                   7.607(2)
_cell_measurement_temperature    296
_cell_volume                     699.9(8)
_exptl_crystal_density_diffrn    3.288
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2004957
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-1/2+x,1/2-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
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