data_global
_chemical_name_mineral 'Esperanzaite'
loop_
_publ_author_name
'Foord E E'
'Hughes J M'
'Cureton F E'
'Maxwell C H'
'Falster A U'
'Sommer A J'
'Hlava P F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 37 
_journal_year 1999
_journal_page_first 67
_journal_page_last 72
_publ_section_title
;
 Esperanzaite, NaCa2Al2(AsO4)2F4(OH).2H2O, a new mineral species from
 the La Esperanza mine, Mexico: Descriptive mineralogy and atomic arrangement
;
_database_code_amcsd 0005592
_chemical_compound_source 'La Esperanza mine, Mexico'
_chemical_formula_sum 'As2 Ca2 Al2 Na.68 F4 (O11 H5)'
_cell_length_a 9.687
_cell_length_b 10.7379
_cell_length_c 5.5523
_cell_angle_alpha 90
_cell_angle_beta 105.32
_cell_angle_gamma 90
_cell_volume 557.017
_exptl_crystal_density_diffrn      3.319
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-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
As1   0.00740   0.25000   0.13970   1.00000   0.00849
As2   0.54657   0.25000   0.86810   1.00000   0.00823
Ca   0.35550   0.41750   0.26020   1.00000   0.01102
Al  -0.24360   0.41080   0.27500   1.00000   0.00899
Na   0.18830   0.25000  -0.29490   0.68000   0.02166
F1   0.21910   0.43610  -0.16650   1.00000   0.01697
F2   0.40380   0.53190   0.64110   1.00000   0.01393
O-H   0.72600   0.25000   0.38200   1.00000   0.01013
Wat   0.15110   0.54060   0.37390   1.00000   0.01431
O1   0.18480   0.25000   0.26700   1.00000   0.01520
O2  -0.06010   0.37480   0.24700   1.00000   0.01456
O3   0.42420   0.25000   1.03000   1.00000   0.01013
O4   0.47100   0.25000   0.56400   1.00000   0.01520
O5   0.34760   0.62240   0.05820   1.00000   0.01165
O6  -0.03200   0.25000  -0.17200   1.00000   0.01773