data_9004618
_chemical_name 'Mitryaevaite'
loop_
_publ_author_name
'Cahill C L'
'Krivovichev S V'
'Burns P C'
'Bekenova G K'
'Shabanova T A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 39
_journal_year 2001
_journal_page_first 179
_journal_page_last 186
_publ_section_title
;
 The crystal structure of mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8*6
 determined from a microcrystal using synchrotron radiation
;
_chemical_formula_sum 'Al5 P4 O32.48 F2 H40'
_cell_length_a 6.918
_cell_length_b 10.127
_cell_length_c 10.296
_cell_angle_alpha 77.036
_cell_angle_beta 73.989
_cell_angle_gamma 76.272
_cell_volume 663.714
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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_Uiso_or_equiv
Al1   0.02180   0.38400   0.21420   1.00000 ?
Al2   0.00000   0.00000   0.00000   1.00000 ?
Al3   0.49820   0.80200  -0.07380   1.00000 ?
P1   0.12430   0.05730   0.25640   1.00000 ?
P2   0.10690   0.67040   0.04000   1.00000 ?
O1  -0.00340   0.19990   0.27990   1.00000 ?
O2   0.34540   0.06640   0.17840   1.00000 ?
O3   0.02580  -0.01500   0.18170   1.00000 ?
O-H4   0.13160  -0.03370   0.39880   1.00000 ?
O5  -0.12340   0.39400   0.08440   1.00000 ?
O6   0.02380   0.57490   0.17230   1.00000 ?
O7  -0.03470   0.81310   0.03910   1.00000 ?
O8   0.32500   0.68430   0.03870   1.00000 ?
O-H9   0.27930   0.34200   0.09480   1.00000 ?
F   0.27800   0.94660  -0.05730   1.00000 ?
Wat10   0.55520   0.82350   0.09320   1.00000 ?
Wat11  -0.23580   0.43120   0.34620   1.00000 ?
Wat12   0.16150   0.37540   0.36040   1.00000 ?
Wat13   0.42660   0.78550  -0.23990   1.00000 ?
Wat14   0.14490   0.25320   0.62580   1.00000 ?
Wat15  -0.59170   0.56450   0.29070   1.00000 ?
Wat16   0.42100  -0.25210   0.44780   1.00000 ?
Wat17   0.50000   0.00000   0.50000   0.48000 ?
H1  -0.59200   0.63400   0.32100   1.00000   0.00170
H2   0.48200   0.89300   0.13500   1.00000   0.00350
H3   0.14200   0.31900   0.68500   1.00000   0.00210