data_global
_chemical_name_mineral 'Kovdorskite'
loop_
_publ_author_name
'Morrison S M'
'Downs R T'
'Yang H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 68 
_journal_year 2012
_journal_page_first i12
_journal_page_last i13
_publ_section_title
;
 Redetermination of kovdorskite, Mg2PO4(OH)*3H2O
;
_database_code_amcsd 0018615
_chemical_compound_source 'Kovdor massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Mg2 P O8 H7'
_cell_length_a 10.4785
_cell_length_b 12.9336
_cell_length_c 4.7308
_cell_angle_alpha 90
_cell_angle_beta 105.054
_cell_angle_gamma 90
_cell_volume 619.137
_exptl_crystal_density_diffrn      2.303
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Mg1   0.15418   0.48809   0.04828   0.00906
Mg2   0.49666   0.21171   0.93433   0.00854
P1   0.21969   0.32142   0.59573   0.00682
O1   0.34918   0.26654   0.58522   0.01002
O2   0.13841   0.24609   0.73290   0.01022
O3   0.14008   0.35212   0.28575   0.01018
O4   0.25621   0.41919   0.78609   0.01050
O-h5   0.01976   0.56414   0.22485   0.00943
OW6   0.16539   0.64623  -0.12401   0.01279
OW7   0.32209   0.53186   0.35888   0.01745
OW8   0.48594   0.34594   1.16317   0.01686
H1   0.03190   0.56270   0.41900   0.03400
H2   0.16000   0.67700  -0.29800   0.05100
H3   0.23450   0.67360  -0.00500   0.03000
H4   0.32280   0.51080   0.53600   0.03500
H5   0.35300   0.59100   0.37100   0.07000
H6   0.42690   0.38400   1.06800   0.03800
H7   0.46800   0.33220   1.31200   0.06300
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
Mg1 0.00832 0.00862 0.00998 0.00010 0.00191 -0.00105
Mg2 0.00828 0.00792 0.00926 0.00010 0.00198 -0.00018
P1 0.00668 0.00727 0.00646 0.00097 0.00160 0.00004
O1 0.00860 0.01220 0.00930 0.00280 0.00250 -0.00010
O2 0.01050 0.00930 0.01200 0.00040 0.00510 0.00110
O3 0.01060 0.01010 0.00820 0.00000 -0.00060 0.00150
O4 0.01150 0.00970 0.01050 -0.00070 0.00330 -0.00280
O-h5 0.01030 0.00950 0.00820 0.00030 0.00180 0.00000
OW6 0.01430 0.01300 0.01060 -0.00370 0.00240 0.00060
OW7 0.01810 0.01630 0.01490 -0.00430 -0.00110 -0.00010
OW8 0.01720 0.01500 0.01620 0.00340 0.00040 -0.00310