data_global
_chemical_name_mineral 'Triplite'
loop_
_publ_author_name
'Vignola P'
'Gatta G D'
'Hatert F'
'Guastoni A'
'Bersani D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 52 
_journal_year 2014
_journal_page_first 235
_journal_page_last 245
_publ_section_title
;
 On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F,
 from the Codera Valley (Sondrio Province, Central Alps, Italy)
;
_database_code_amcsd 0020668
_chemical_compound_source 'Codera Valley, Sondrio, Central Alps, Italy'
_chemical_formula_sum '(Mn1.964 Fe.036) P O4 F'
_cell_length_a 12.109
_cell_length_b 6.5162
_cell_length_c 10.117
_cell_angle_alpha 90
_cell_angle_beta 106.16
_cell_angle_gamma 90
_cell_volume 766.737
_exptl_crystal_density_diffrn      3.879
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MnM1   0.19521  -0.01430   0.18824   0.97100   0.01050
FeM1   0.19521  -0.01430   0.18824   0.02900   0.01050
MnM2   0.09364   0.14593   0.44514   0.99300   0.00930
FeM2   0.09364   0.14593   0.44514   0.00700   0.00930
P   0.07372   0.65721   0.37919   1.00000   0.00710
O1   0.05661   0.83127   0.47407   1.00000   0.01170
O2   0.95951   0.60809   0.27198   1.00000   0.01220
O3   0.16461   0.71588   0.30680   1.00000   0.01340
O4   0.11718   0.46828   0.47054   1.00000   0.01260
F   0.26581   0.15469   0.37280   1.00000   0.01940
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
MnM1 0.01020 0.01190 0.00910 0.00290 0.00200 0.00000
FeM1 0.01020 0.01190 0.00910 0.00290 0.00200 0.00000
MnM2 0.01160 0.00720 0.00910 -0.00090 0.00290 -0.00070
FeM2 0.01160 0.00720 0.00910 -0.00090 0.00290 -0.00070
P 0.00760 0.00600 0.00810 0.00010 0.00290 0.00010
O1 0.01510 0.00920 0.01280 -0.00280 0.00730 -0.00320
O2 0.00900 0.01650 0.00990 -0.00245 0.00090 -0.00030
O3 0.01350 0.01330 0.01610 -0.00020 0.00890 0.00180
O4 0.01300 0.00890 0.01470 0.00110 0.00170 0.00200
F 0.01680 0.02020 0.01770 0.00120 -0.00110 -0.00600