data_global
_chemical_name_mineral 'Elliottite'
loop_
_publ_author_name
'Grey I E'
'Mumme W G'
'MacRae C M'
'Kampf A R'
'Mills S J'
_journal_name_full 'Australian Journal of Mineralogy'
_journal_volume 23 
_journal_year 2022
_journal_page_first 13
_journal_page_last 20
_publ_section_title
;
 Elliottite, NaMgAl3(PO4)2F6·9H2O; a new crandallite-derivative mineral
 from Tom’s phosphate quarry, Kapunda, South Australia
;
_database_code_amcsd 0021070
_chemical_compound_source 'Tom’s phosphate quarry, Kapunda, South Australia'
_chemical_formula_sum 'Na.68 Mg1.044 Al3 P2 O16.624 F6 H17.248'
_cell_length_a 12.2420
_cell_length_b 7.0118
_cell_length_c 11.2946
_cell_angle_alpha 90
_cell_angle_beta 101.19
_cell_angle_gamma 90
_cell_volume 951.080
_exptl_crystal_density_diffrn      2.030
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Na   0.50000   0.00000   0.00000   0.68000
Mg   0.58200   0.00000   0.39500   0.52200
Al1   0.00000   0.00000   0.00000   1.00000
Al2   0.25000   0.25000   0.00000   1.00000
P   0.87100   0.00000   0.20900   1.00000
O1   0.89200   0.00000   0.34800   1.00000
O2   0.98100   0.00000   0.16400   1.00000
O3   0.80200   0.17700   0.16200   1.00000
F1   0.68600   0.00000   0.00000   1.00000
F2   0.89100   0.20000   0.95800   1.00000
Wat1   0.00000   0.32000   0.50000   0.52200
Wat2   0.58000   0.00000   0.71000   0.79000
Wat3   0.74000   0.00000   0.50000   1.00000
Wat4   0.40000   0.19000   0.75000   1.00000