data_global
_chemical_name_mineral 'Fanfaniite'
loop_
_publ_author_name
'Grey I E'
'Kampf A R'
'Smith J B'
'MacRae C M'
'Keck E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 31 
_journal_year 2019
_journal_page_first 647
_journal_page_last 652
_publ_section_title
;
 Fanfaniite, Ca4Mn2+Al4(PO4)6(OH,F)4*12H2O, a new mineral with a montgomeryite-type structure
;
_database_code_amcsd 0020880
_chemical_compound_source 'Foote spodumene mine, North Carolina, USA'
_chemical_formula_sum 'Ca2 Al1.96 Fe.1 Mn.38 Mg.06 P3 O20 H10'
_cell_length_a 10.021
_cell_length_b 24.137
_cell_length_c 6.226
_cell_angle_alpha 90
_cell_angle_beta 91.54
_cell_angle_gamma 90
_cell_volume 1505.381
_exptl_crystal_density_diffrn      2.577
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
Ca1   0.00000   0.06077   0.25000   1.00000   0.01730
Ca2   0.00000   0.33045   0.25000   1.00000   0.01490
Al1   0.25000   0.25000   0.00000   1.00000   0.01260
Al2   0.00000   0.17112   0.75000   0.96000   0.01330
Fe2   0.00000   0.17112   0.75000   0.04000   0.01330
Mn   0.00000   0.47293   0.25000   0.38000   0.02060
Mg   0.00000   0.47293   0.25000   0.06000   0.02060
Fe   0.00000   0.47293   0.25000   0.06000   0.02060
P1   0.50000   0.30003   0.75000   1.00000   0.01310
P2   0.25905   0.11577   0.96033   1.00000   0.01508
O1   0.61727   0.26095   0.70730   1.00000   0.01640
O2   0.47034   0.33741   0.55570   1.00000   0.01660
O3   0.31035   0.17504   0.01110   1.00000   0.01680
O4   0.37609   0.08755   0.85170   1.00000   0.01830
O5   0.13740   0.11758   0.79980   1.00000   0.01880
O6   0.21942   0.08679   0.16600   1.00000   0.02540
O-h1   0.37037   0.27164   0.22030   1.00000   0.01530
Ow1   0.16450   0.32854   0.52520   1.00000   0.02530
Ow2   0.11258   0.02580   0.58170   1.00000   0.01910
Ow3   0.12260   0.47368   0.56830   1.00000   0.05240
H12   0.23700   0.31900   0.45400   1.00000   0.07000
H22   0.19000   0.01600   0.54400   1.00000   0.07000
H11   0.18700   0.35100   0.62500   1.00000   0.07000
H21   0.11900   0.05350   0.67400   1.00000   0.07000
H1   0.34700   0.26200   0.34000   1.00000   0.07000
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
Ca1 0.02110 0.01360 0.01740 0.00000 0.00370 0.00000
Ca2 0.01650 0.01190 0.01640 0.00000 0.00340 0.00000
Al1 0.01580 0.00770 0.01430 -0.00040 0.00280 0.00000
Al2 0.01640 0.00740 0.01640 0.00000 0.00370 0.00000
Fe2 0.01640 0.00740 0.01640 0.00000 0.00370 0.00000
Mn 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000
Mg 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000
Fe 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000
P1 0.01560 0.00890 0.01510 0.00000 0.00300 0.00000
P2 0.01710 0.00960 0.01880 0.00025 0.00500 0.00165
O1 0.01760 0.01240 0.01950 0.00210 0.00420 0.00180
O2 0.02270 0.00940 0.01770 0.00160 0.00240 0.00100
O3 0.01900 0.01080 0.02040 -0.00020 -0.00020 -0.00140
O4 0.02060 0.01290 0.02160 0.00360 0.00450 0.00090
O5 0.01980 0.01050 0.02610 -0.00090 -0.00020 -0.00170
O6 0.02530 0.02260 0.02900 0.00370 0.01160 0.01390
O-h1 0.01800 0.01140 0.01650 -0.00180 0.00290 0.00070
Ow1 0.02240 0.02980 0.02340 -0.00600 -0.00140 0.00630
Ow2 0.02380 0.01220 0.02150 -0.00010 0.00160 -0.00160
Ow3 0.02690 0.06240 0.06800 0.00720 -0.00480 -0.03950