#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/02/5910250.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5910250
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_journal_name_full               'The Structure of Crystals'
_journal_page_first              91
_journal_page_last               94
_journal_volume                  3
_journal_year                    1951
_chemical_formula_structural     Cr2BeO4
_chemical_formula_sum            'Be Cr2 O4'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             2006-02-07
_audit_creation_method
;
Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.792
_cell_length_b                   5.663
_cell_length_c                   4.555
_cell_volume                     252.584
_cod_original_formula_sum        'Cr2 Be O4'
_cod_database_code               5910250
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x+1/2,-y,z+1/2
-x,-y,-z
-x+1/2,y+1/2,z+1/2
x,-y+1/2,z
x+1/2,y,-z+1/2
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Cr1
0.00000 0.50000 0.00000 Cr2
0.50000 0.00000 0.50000 Cr3
0.50000 0.50000 0.50000 Cr4
0.27319 0.25000 -0.00595 Cr5
0.77319 0.25000 0.50595 Cr6
-0.27319 -0.25000 0.00595 Cr7
-0.77319 -0.25000 -0.50595 Cr8
0.09294 0.25000 0.43347 Be1
0.59294 0.25000 0.06653 Be2
-0.09294 -0.25000 -0.43347 Be3
-0.59294 -0.25000 -0.06653 Be4
0.09051 0.25000 0.79016 O1
0.59000 0.25000 -0.29016 O2
-0.09051 -0.25000 -0.79016 O3
-0.59000 -0.25000 0.29016 O4
0.43343 0.25000 0.24097 O5
0.93343 0.25000 0.25903 O6
-0.43343 -0.25000 -0.24097 O7
-0.93343 -0.25000 -0.25903 O8
0.16318 0.01718 0.25850 O9
0.66318 0.48282 0.24150 O10
0.16318 0.48282 0.25850 O11
0.66318 0.01718 0.24150 O12
-0.16318 -0.01718 -0.25850 O13
-0.66318 -0.48282 -0.24150 O14
-0.16318 -0.48282 -0.25850 O15
-0.66318 -0.01718 -0.24150 O16
