data_global
_chemical_name_mineral 'Afmite'
loop_
_publ_author_name
'Kampf A R'
'Mills S J'
'Rossman G R'
'Steele I M'
'Pluth J J'
'Favreau G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 23 
_journal_year 2011
_journal_page_first 269
_journal_page_last 277
_publ_section_title
;
 Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France:
 description and crystal structure
 T = 298 K
;
_database_code_amcsd 0018452
_chemical_compound_source 'Fumade, Tarn, France'
_chemical_formula_sum 'Al3 P2 O16 H13'
_cell_length_a 7.386
_cell_length_b 7.716
_cell_length_c 11.345
_cell_angle_alpha 99.773
_cell_angle_beta 91.141
_cell_angle_gamma 115.58
_cell_volume 571.551
_exptl_crystal_density_diffrn      2.394
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Al1   0.18640   0.83050   0.71260   0.02600
Al2   0.21340   0.45440   0.68790   0.02400
Al3   0.30420   0.85750   0.29720   0.01800
P1   0.32820   0.14140   0.54400   0.01800
P2   0.06330   0.15070   0.85650   0.02700
O1   0.18580   0.97180   0.59710   0.02400
O2   0.32400   0.08020   0.40910   0.03000
O3   0.54440   0.21560   0.60070   0.03100
O4   0.26770   0.31120   0.55760   0.02200
O5   0.21630   0.30950   0.80130   0.02000
O6   0.10410   0.97300   0.83890   0.02400
O7   0.84370   0.09430   0.81690   0.01600
O-H8   0.10610   0.23420   0.99620   0.02100
O-H9   0.23520   0.64310   0.60190   0.02700
O-H10   0.92880   0.30420   0.64070   0.02700
O-H11   0.15020   0.63270   0.80780   0.02200
O-H12   0.46220   0.98480   0.77630   0.03400
Wat13   0.50980   0.60400   0.74430   0.02700
Wat14   0.89180   0.65970   0.65230   0.02600
Wat15   0.25890   0.61280   0.17670   0.02900
Wat16   0.47780   0.76730   0.99210   0.05200
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
Al1 0.03100 0.00800 0.03500 0.00400 0.00400 0.01100
Al2 0.01900 0.03100 0.02200 0.01100 0.00100 0.00700
Al3 0.01200 0.01700 0.02200 0.00300 0.00400 0.00500
P1 0.01700 0.01400 0.02200 0.00700 0.00100 0.00100
P2 0.02200 0.02700 0.02900 0.00800 0.00600 0.00500
O1 0.01400 0.05100 0.01800 0.02000 0.01000 0.02100
O2 0.01000 0.04000 0.03100 0.00200 0.01100 0.00900
O3 0.04800 0.01700 0.03400 0.01900 -0.00200 0.00300
O4 0.02200 0.03200 0.02100 0.01900 -0.01100 0.01300
O5 0.02900 0.00000 0.03100 0.00500 0.00500 0.00400
O6 0.03000 0.02600 0.03200 0.02400 0.01100 0.01500
O7 0.01000 0.01700 0.03200 0.00900 0.01600 0.02000
O-H8 0.02000 0.01500 0.02600 0.00500 -0.00100 0.00500
O-H9 0.03800 0.03200 0.03100 0.03200 0.01400 0.00600
O-H10 0.02100 0.02500 0.02700 0.00200 0.01000 0.00800
O-H11 0.01500 0.01300 0.03500 -0.00100 0.00200 0.01500
O-H12 0.01300 0.03000 0.03700 -0.00600 0.01400 -0.00300
Wat13 0.02200 0.03500 0.02000 0.01200 -0.00300 0.00100
Wat14 0.01800 0.00500 0.03800 -0.01100 0.00800 0.00400
Wat15 0.03100 0.02600 0.05000 0.02700 0.01800 0.02200
Wat16 0.04300 0.04800 0.04300 0.00100 0.00500 0.00500