data_9582-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                9582
_audit_creation_date               1980/01/01
_audit_update_record               1984/05/15
_chemical_name_systematic          'Zirconium Silicate'
_chemical_formula_structural       'Zr Si O4'
_chemical_formula_sum              'O4 Si1 Zr1'
_chemical_name_mineral             Zircon
_publ_section_title
;
Refinement of the Crystal Structure of Zircon
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Carnegie Institution of Washington: Yearbook' 1974 73 544 547 CIWYAO
_publ_author_name                  'Finger, L.W.'
_cell_length_a                     6.612(2)
_cell_length_b                     6.612(2)
_cell_length_c                     5.994(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       262.05
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 41/a m d Z'
_symmetry_Int_Tables_number        141
_refine_ls_R_factor_all            0.028
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/4, x+3/4, -z+1/4'
  2	'y+1/4, -x+3/4, -z+1/4'
  3	'x, y+1/2, -z'
  4	'x, -y, -z'
  5	'-y+3/4, x+3/4, -z+1/4'
  6	'-y+3/4, -x+3/4, -z+1/4'
  7	'-x, y+1/2, -z'
  8	'-x, -y, -z'
  9	'-y+3/4, -x+1/4, z+3/4'
 10	'-y+3/4, x+1/4, z+3/4'
 11	'-x, -y+1/2, z'
 12	'-x, y, z'
 13	'y+1/4, -x+1/4, z+3/4'
 14	'y+1/4, x+1/4, z+3/4'
 15	'x, -y+1/2, z'
 16	'x, y, z'
 17	'y+3/4, x+1/4, -z+3/4'
 18	'y+3/4, -x+1/4, -z+3/4'
 19	'x+1/2, y, -z+1/2'
 20	'x+1/2, -y+1/2, -z+1/2'
 21	'-y+1/4, x+1/4, -z+3/4'
 22	'-y+1/4, -x+1/4, -z+3/4'
 23	'-x+1/2, y, -z+1/2'
 24	'-x+1/2, -y+1/2, -z+1/2'
 25	'-y+1/4, -x+3/4, z+1/4'
 26	'-y+1/4, x+3/4, z+1/4'
 27	'-x+1/2, -y, z+1/2'
 28	'-x+1/2, y+1/2, z+1/2'
 29	'y+3/4, -x+3/4, z+1/4'
 30	'y+3/4, x+3/4, z+1/4'
 31	'x+1/2, -y, z+1/2'
 32	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-	-2
Si4+	4
Zr4+	4
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_B_iso_or_equiv
Zr1 Zr4+ 4 a 0 0.75 0.125 1. 0 0.4 
Si1 Si4+ 4 b 0 0.75 0.625 1. 0 0.5 
O1 O2- 16 h 0 0.0660(5) 0.1941(5) 1. 0 0.72 

#End of data_9582-ICSD


