data_global
_amcsd_formula_title 'NaMg(H2PO3)3*H2O'
loop_
_publ_author_name
'Ouarsal R'
'Tahiri A A'
'Lachkar M'
'Dusek M'
'Fejfarova K'
'El Bali B'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i33
_journal_page_last i35
_publ_section_title
;
 Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O
;
_database_code_amcsd 0010399
_chemical_formula_sum 'Na Mg P3 O10 H8'
_cell_length_a 14.8060
_cell_length_b 9.078
_cell_length_c 14.811
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1990.730
_exptl_crystal_density_diffrn      2.057
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_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
Na1   0.93245   0.06142   0.15732   0.02640
Mg1   0.95397   0.44768   0.16036   0.01237
P1   0.88097   0.73759   0.27655   0.01290
P2   0.73601  -0.03858   0.03132   0.01396
P3   0.99216   0.27043  -0.03020   0.01409
O1   0.83022   0.01936   0.04050   0.02190
O2   0.67081   0.01163   0.10360   0.02060
O3   0.93078   0.88124   0.27105   0.01710
O4   0.97033   0.40461  -0.08581   0.01940
O5   0.80042   0.74139   0.20597   0.02430
O6   0.97054   0.27935   0.06863   0.01910
O7   0.88190   0.28770   0.23950   0.02110
O8   0.93482   0.59990   0.26106   0.01730
O9   0.70170   0.00470  -0.06526   0.03150
O10   0.94366   0.13220  -0.07248   0.03390
H1   0.83200   0.28900   0.23500   0.04700
H2   0.73660  -0.17700   0.02790   0.02000
H3   0.84110   0.72600   0.35150   0.01400
H4   0.91200   0.09300  -0.03900   0.06700
H5   0.65100  -0.00700  -0.07400   0.05100
H6   0.07730   0.24400  -0.03950   0.01900
H7   0.89500   0.30000   0.29600   0.04100
H8   0.80700   0.66000   0.17100   0.05200
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.02960 0.02270 0.02670 -0.00720 -0.01360 0.00780
Mg1 0.01250 0.01210 0.01250 -0.00010 -0.00120 -0.00030
P1 0.01140 0.01250 0.01480 -0.00014 0.00110 -0.00160
P2 0.01130 0.01510 0.01540 -0.00106 0.00093 -0.00090
P3 0.01680 0.01240 0.01310 -0.00101 0.00230 -0.00080
O1 0.01330 0.03090 0.02140 -0.00520 0.00020 0.00170
O2 0.01620 0.02280 0.02280 -0.00160 0.00630 -0.00410
O3 0.01690 0.01390 0.02060 -0.00160 -0.00400 0.00100
O4 0.01970 0.02100 0.01750 0.00010 0.00180 0.00680
O5 0.01580 0.02300 0.03400 0.00580 -0.01020 -0.01100
O6 0.03030 0.01490 0.01210 -0.00220 -0.00060 0.00040
O7 0.01460 0.02880 0.01990 -0.00400 -0.00090 0.00340
O8 0.01870 0.01530 0.01780 0.00340 -0.00480 -0.00360
O9 0.02070 0.05360 0.02020 -0.00600 -0.00510 0.00690
O10 0.05460 0.02910 0.01790 -0.02400 0.01220 -0.00890