data_99789-ICSD
#©2012 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                99789
_audit_creation_date               2005/04/01
_chemical_name_systematic          'Iron(III) Antimony(V) Oxide'
_chemical_formula_structural       '(Fe Sb) O4'
_chemical_formula_sum              'Fe1 O4 Sb1'
_chemical_name_mineral             Squawcreekite
_publ_section_title
;
Structural studies on synthetic and natural Fe - Sb - oxides of (M 
O2) - type
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)'
 2003 2003 9 407 420 NJMMAW
_publ_author_name
;
Basso, R.;Cabella, R.;Lucchetti, G.;Marescotti, P.;Martinelli, A.
;
_cell_length_a                     4.6334(1)
_cell_length_b                     4.6334(1)
_cell_length_c                     3.0728(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       65.97
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_refine_ls_R_factor_all            0.024
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-y+1/2, x+1/2, -z+1/2'
  2	'y+1/2, -x+1/2, -z+1/2'
  3	'y, x, -z'
  4	'-y, -x, -z'
  5	'y+1/2, -x+1/2, z+1/2'
  6	'-y+1/2, x+1/2, z+1/2'
  7	'-y, -x, z'
  8	'y, x, z'
  9	'x+1/2, -y+1/2, -z+1/2'
 10	'-x+1/2, y+1/2, -z+1/2'
 11	'x, y, -z'
 12	'-x, -y, -z'
 13	'-x+1/2, y+1/2, z+1/2'
 14	'x+1/2, -y+1/2, z+1/2'
 15	'-x, -y, z'
 16	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe3+	3
O2-	-2
Sb5+	5
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
Fe1 Fe3+ 2 a 0 0 0 0.5 0 
Sb1 Sb5+ 2 a 0 0 0 0.5 0 
O1 O2- 4 f 0.3020(1) 0.3020(1) 0 1. 0 

#End of data_99789-ICSD


