data_global
_chemical_name_mineral 'Struvite-(K)'
loop_
_publ_author_name
'Mathew M'
'Schroeder L W'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 11
_journal_page_last 13
_publ_section_title
;
 Crystal structure of a struvite analogue, MgKPO4*6H2O
;
_database_code_amcsd 0009654
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Mg P O10 H12'
_cell_length_a 6.873
_cell_length_b 6.160
_cell_length_c 11.087
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 469.398
_exptl_crystal_density_diffrn      1.885
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.00000   0.36810   0.00000 ?
Mg   0.00000   0.38300   0.64870 ?
P   0.00000  -0.00690   0.27440 ?
O1   0.00000  -0.01860   0.13630 ?
O2   0.00000  -0.23860   0.32850 ?
O3   0.18270   0.11200   0.31810 ?
O4   0.50000   0.31240   0.06310 ?
O5   0.50000   0.91440   0.24040 ?
O6   0.22230   0.27370   0.53820 ?
O7   0.29120   0.51050   0.26560 ?
H1   0.00000   0.71700   0.50300   0.03800
H2   0.50000   0.19700   0.08400   0.03800
H3   0.38200  -0.01300   0.25500   0.03800
H4   0.18500   0.22800   0.46200   0.03800
H5   0.19800   0.80200   0.08800   0.03800
H6   0.24600   0.40800   0.26600   0.03800
H7   0.19900   0.59300   0.27300   0.03800
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
K 0.06400 0.04800 0.05000 0.00000 0.00000 0.01000
Mg 0.02300 0.01600 0.02000 0.00000 0.00000 -0.00400
P 0.02000 0.01500 0.01900 0.00000 0.00000 -0.00200
O1 0.03100 0.03000 0.01300 0.00000 0.00000 -0.00300
O2 0.03200 0.01200 0.02900 0.00000 0.00000 0.00900
O3 0.02000 0.02100 0.02700 -0.00300 0.00300 -0.00500
O4 0.10800 0.01000 0.02800 0.00000 0.00000 -0.01300
O5 0.02300 0.03100 0.08500 0.00000 0.00000 -0.03000
O6 0.03200 0.04700 0.01400 0.00900 -0.00200 -0.00600
O7 0.04000 0.02000 0.05100 0.00000 0.01800 0.00800