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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007436.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007436
loop_
_publ_author_name
'Corbridge, D. E. C.'
_publ_section_title
;
 The crystal structure of magnesium phosphite hexahydrate, MgHPO3*6H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              991
_journal_page_last               994
_journal_volume                  9
_journal_year                    1956
_chemical_formula_structural     MgHPO3(H2O)6
_chemical_formula_sum            'H13 Mg O9 P'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.88
_cell_length_b                   8.88
_cell_length_c                   9.10
_cell_volume                     621.438
_exptl_crystal_density_diffrn    1.702
_[local]_cod_cif_authors_sg_H-M  'R 3'
_[local]_cod_chemical_formula_sum_orig 'Mg H13 P O9'
_cod_database_code               9007436
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg 0.00000 0.00000 0.00000
H 0.00000 0.00000 0.65000
P 0.00000 0.00000 0.48800
O 0.13000 0.18000 0.43500
Wat1 0.01000 0.20500 0.88200
Wat2 0.18300 0.19800 0.14000
_journal_paper_doi 10.1107/S0365110X56002886