data_global
_chemical_name_mineral 'Struvite-(K)'
loop_
_publ_author_name
'Graeser S'
'Postl W'
'Bojar H P'
'Berlepsch P'
'Armbruster T'
'Raber T'
'Ettinger K'
'Walter F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 20 
_journal_year 2008
_journal_page_first 629
_journal_page_last 633
_publ_section_title
;
 Struvite-(K), KMgPO4*6H2O, the potassium equivalent of struvite - a new mineral
;
_database_code_amcsd 0007262
_chemical_compound_source 'Lengenbach, Switzerland'
_chemical_formula_sum 'K Mg P O10 H12'
_cell_length_a 6.892
_cell_length_b 6.166
_cell_length_c 11.139
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 473.364
_exptl_crystal_density_diffrn      1.870
_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   0.36620   0.00320   0.05860
Mg   0.00000   0.38250   0.64920   0.02010
P   0.00000  -0.00730   0.27560   0.01690
O1   0.00000  -0.02140   0.13810   0.02750
O2   0.00000  -0.23810   0.32930   0.02720
O3   0.18200   0.11090   0.31860   0.02390
O4   0.50000   0.31040   0.06270   0.04900
O5   0.50000   0.91470   0.24090   0.04200
O6   0.22090   0.26900   0.53870   0.03090
O7   0.28920   0.51100   0.26420   0.04000
H41   0.50000   0.30000  -0.01600   0.03700
H42   0.50000   0.25600   0.13400   0.03700
H51   0.39100   0.98500   0.25100   0.03700
H61   0.19500   0.25100   0.46700   0.03700
H62   0.30300   0.19600   0.58400   0.03700
H71   0.23800   0.40100   0.27800   0.03700
H72   0.18600   0.57800   0.29000   0.03700
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 0.06900 0.04970 0.05700 0.00000 0.00000 0.01200
Mg 0.02200 0.01690 0.02150 0.00000 0.00000 0.00180
P 0.01840 0.01480 0.01740 0.00000 0.00000 -0.00070
O1 0.02900 0.02800 0.02600 0.00000 0.00000 0.00300
O2 0.03500 0.01800 0.02800 0.00000 0.00000 0.00600
O3 0.02280 0.02180 0.02700 -0.00170 0.00200 -0.00300
O4 0.09700 0.02100 0.02900 0.00000 0.00000 0.00000
O5 0.02000 0.03600 0.07100 0.00000 0.00000 -0.03100
O6 0.02700 0.04800 0.01800 0.00700 0.00100 -0.00500
O7 0.04100 0.02300 0.05600 0.00500 0.02400 0.01300