data_1011040
_publ_section_title
;
Ueber die Struktur des Durangit Na Al F (As O4)
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              38
_journal_page_last               49
_journal_volume                  99
_journal_year                    1938
_chemical_compound_source        'from Durango, Mexico'
_chemical_formula_structural     'Na Al F As O4'
_chemical_formula_sum            'Al As F Na O4'
_chemical_name_mineral           Durangite
_chemical_name_systematic        'Aluminium sodium arsenate fluoride'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.53(1)
_cell_length_b                   8.46(1)
_cell_length_c                   7.00(2)
_cell_volume                     349.8
_cod_database_code               1011040
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
As1 As5+ 4 e 0. 0.317 0.25 1. 0 d
Al1 Al3+ 4 a 0. 0. 0. 1. 0 d
Na1 Na1+ 4 e 0. 0.667 0.25 1. 0 d
F1 F1- 4 e 0. 0.944 0.25 1. 0 d
O1 O2- 8 f 0.208 0.433 0.417 1. 0 d
O2 O2- 8 f 0.092 0.211 0.097 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
As5+ 5.000
Al3+ 3.000
Na1+ 1.000
F1- -1.000
O2- -2.000
