data_global
_chemical_name_mineral 'Fluorowardite'
loop_
_publ_author_name
'Kampf A R'
'Adams P M'
'Housley R M'
'Rossman G R'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 804
_journal_page_last 810
_publ_section_title
;
 Fluorowardite, NaAl3(PO4)2(OH)2F2*2H2O, the fluorine analog of wardite
 from the Silver Coin mine, Valmy, Nevada
;
_database_code_amcsd 0020022
_chemical_compound_source 'Silver Coin mine, Valmy, Nevada, USA'
_chemical_formula_sum '(Na.87 Ca.13) (Al2.97 Fe.03) (P1.97 As.03) O12.32 F1.68 H6.32'
_cell_length_a 7.077
_cell_length_b 7.077
_cell_length_c 19.227
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 962.964
_exptl_crystal_density_diffrn      2.798
_symmetry_space_group_name_H-M 'P 41 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,1/4+z'
  '1/2-x,1/2+y,1/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,3/4+z'
  '1/2+x,1/2-y,3/4-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
Na   0.38510   0.38510   0.50000   0.87000   0.03100
Ca   0.38510   0.38510   0.50000   0.13000   0.03100
Al1   0.40380   0.10140   0.25947   0.99000   0.01530
Fe1   0.40380   0.10140   0.25947   0.01000   0.01530
Al2   0.09530   0.09530   0.00000   0.99000   0.01580
Fe2   0.09530   0.09530   0.00000   0.01000   0.01580
P   0.14670   0.36260   0.34832   0.98500   0.01130
As   0.14670   0.36260   0.34832   0.01500   0.01130
O1  -0.02960   0.41440   0.30660   1.00000   0.01600
O2   0.30460   0.51210   0.33587   1.00000   0.01960
O3   0.21310   0.16660   0.32240   1.00000   0.02130
O4   0.10410   0.35470   0.42670   1.00000   0.01970
F5   0.12630   0.34700  -0.03794   0.84000   0.02420
O-H5   0.12630   0.34700  -0.03794   0.16000   0.02420
OW6   0.19410   0.03240   0.19300   1.00000   0.02570
H6A   0.15500   0.10400   0.16000   1.00000   0.03100
H6B   0.20300  -0.08700   0.18000   1.00000   0.03100
O-h7   0.41140   0.34460   0.21790   1.00000   0.01880
H7   0.48600   0.32700   0.18200   1.00000   0.02300
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
Na 0.02700 0.02700 0.03800 0.00800 0.00340 -0.00340
Ca 0.02700 0.02700 0.03800 0.00800 0.00340 -0.00340
Al1 0.01620 0.01470 0.01500 0.00090 0.00240 -0.00140
Fe1 0.01620 0.01470 0.01500 0.00090 0.00240 -0.00140
Al2 0.01520 0.01520 0.01720 -0.00180 -0.00050 0.00050
Fe2 0.01520 0.01520 0.01720 -0.00180 -0.00050 0.00050
P 0.01060 0.01290 0.01030 0.00080 0.00080 -0.00120
As 0.01060 0.01290 0.01030 0.00080 0.00080 -0.00120
O1 0.01100 0.01900 0.01800 0.00200 -0.00400 0.00400
O2 0.01700 0.02000 0.02200 -0.00600 0.00100 0.00000
O3 0.01900 0.02200 0.02300 0.00100 0.00300 -0.00100
O4 0.01400 0.02500 0.02000 0.00100 0.00000 0.00000
F5 0.02400 0.02100 0.02700 0.00040 -0.00020 0.00330
O-H5 0.02400 0.02100 0.02700 0.00040 -0.00020 0.00330
OW6 0.02800 0.02400 0.02500 0.00500 -0.00300 0.00800
O-h7 0.02100 0.01900 0.01700 0.00500 0.00100 0.00200