#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542000.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_1542000
loop_
_publ_author_name
'Hinsch, T.R.'
_publ_section_title
;
 The crystal structure of magnesium-dihydrogen phosphate dihydrate Mg (H2
 P O4)2 (H2 O)2
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              439
_journal_page_last               445
_journal_volume                  1985
_journal_year                    1985
_chemical_formula_sum            'H8 Mg O10 P2'
_chemical_name_systematic        'Mg (H2 P O4)2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.48
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.289
_cell_length_b                   9.938
_cell_length_c                   5.334
_cell_volume                     384.619
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Hinsch_NJMMAW_1985_1978.cif
_cod_data_source_block           H8Mg1O10P2
_cod_original_cell_volume        384.6188
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H8 Mg1 O10 P2'
_cod_database_code               1542000
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
O3 O-2 0.8609 0.1355 0.744 1 0.0
Mg1 Mg+2 0.5 0.5 0.5 1 0.0
P1 P+5 0.8406 0.2869 0.7439 1 0.0
O2 O-2 0.6503 0.3378 0.6545 1 0.0
O4 O-2 0.9757 0.352 0.5662 1 0.0
H1 H+1 0.0341 0.0427 0.0904 1 0.0
O1 O-2 0.3047 0.4648 0.7628 1 0.0
H4 H+1 0.0975 0.0299 0.0092 1 0.0
H3 H+1 0.0067 0.0371 0.062 1 0.0
O5 O-2 0.894 0.343 0.0174 1 0.0
H2 H+1 0.0249 0.0541 0.0818 1 0.0
