data_global
_chemical_name_mineral 'KMg(HP2O7)*2H2O'
loop_
_publ_author_name
'El Bali B'
'Tahiri A A'
'Lachkar M'
'Arriortua M I'
'Urtiaga M K'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 61 
_journal_year 2005
_journal_page_first i275
_journal_page_last i277
_publ_section_title
;
 Potassium magnesium hydrogendiphosphate dihydrate
;
_chemical_formula_sum 'K Mg P2 O9 H5'
_cell_length_a 15.5203
_cell_length_b 7.7786
_cell_length_c 6.4822
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 782.571
_exptl_crystal_density_diffrn      2.329
_symmetry_space_group_name_H-M 'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-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_occupancy
_atom_site_U_iso_or_equiv
K1   0.96413   0.25000  -0.12003   1.00000   0.02210
Mg1   0.69513   0.25000   0.56069   1.00000   0.01128
P   0.86405   0.06195   0.36157   1.00000   0.01036
O4   0.77213   0.06553   0.43220   1.00000   0.01510
O1   0.88901   0.25000   0.27440   1.00000   0.01430
O5W   0.89127  -0.25000   0.81120   1.00000   0.01980
H5W   0.89450  -0.34400   0.70800   1.00000   0.04500
O6W   0.71889  -0.25000   0.32200   1.00000   0.01830
H6W   0.73650  -0.14700   0.39100   1.00000   0.04500
O2   0.92483   0.03029   0.54646   1.00000   0.01680
H2   0.97700  -0.01600   0.51600   0.50000   0.04500
O3   0.88318  -0.05737   0.18544   1.00000   0.01560
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
K1 0.01790 0.02950 0.01880 0.00000 0.00018 0.00000
Mg1 0.01010 0.01050 0.01320 0.00000 0.00080 0.00000
P 0.00970 0.00918 0.01219 0.00038 0.00041 -0.00174
O4 0.01020 0.01290 0.02210 -0.00030 0.00410 -0.00290
O1 0.01750 0.01050 0.01490 0.00000 0.00510 0.00000
O5W 0.02570 0.01790 0.01600 0.00000 0.00460 0.00000
O6W 0.02090 0.01380 0.02040 0.00000 0.00270 0.00000
O2 0.01460 0.02220 0.01360 0.00350 -0.00310 0.00080
O3 0.01460 0.01490 0.01730 0.00070 0.00050 -0.00740