data_62560-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                62560
_audit_creation_date               1988/02/22
_audit_update_record               2007/04/01
_chemical_name_systematic          'Barium Chromate'
_chemical_formula_structural       'Ba (Cr O4)'
_chemical_formula_sum              'Ba1 Cr1 O4'
_chemical_name_mineral             Hashemite
_publ_section_title
;
Crystal growth from silica gels and single crystal structure of 
bariumchromate.
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Crystal Research and Technology' 1986 21 827 833 CRTEDF
2
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1962 117 259 272 ZEKGAX
_publ_author_name
;
Lentz, A.;Buechele, W.;Schoellhorn, H.
;
_cell_length_a                     9.113(4)
_cell_length_b                     5.528(3)
_cell_length_c                     7.336(4)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       369.56
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_refine_ls_R_factor_all            0.062
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, y, -z+1/2'
  2	'x, -y+1/2, z'
  3	'-x+1/2, y+1/2, z+1/2'
  4	'-x, -y, -z'
  5	'-x+1/2, -y, z+1/2'
  6	'-x, y+1/2, -z'
  7	'x+1/2, -y+1/2, -z+1/2'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+	2
Cr6+	6
O2-	-2
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_U_iso_or_equiv
Ba1 Ba2+ 4 c 0.1830(1) 0.25 0.1553(2) 1. 0 0 
Cr1 Cr6+ 4 c 0.5574(4) 0.25 0.8057(5) 1. 0 0 
O1 O2- 4 c 0.390(2) 0.25 0.8837(27) 1. 0 0.018(4) 
O2 O2- 4 c 0.6792(24) 0.25 0.9676(31) 1. 0 0.030(5) 
O3 O2- 8 d 0.5847(12) 0.0113(22) 0.6777(16) 1. 0 0.012(2) 

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba1 Ba2+ 0.009(1) 0.010(1) 0.011(1) 0 0.000(1) 0
Cr1 Cr6+ 0.016(1) 0.005(1) 0.004(1) 0 0.000(1) 0
#End of data_62560-ICSD


