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#$Date: 2016-03-22 12:44:20 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178961 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/90/4119076.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_4119076
loop_
_publ_author_name
'Eckert, H.'
'Moran, K.L.'
'Wasylishen, R.E.'
'Harrison, W.T.A.'
'Eichele, K.'
'Gier, T.E.'
'Stucky, G.D.'
_publ_section_title
;
 Synthesis and characterization of mixed ZnSe/GaP semiconductor species
 included in the sodalite structure
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10553
_journal_page_last               10558
_journal_paper_doi               10.1021/ja00076a013
_journal_volume                  115
_journal_year                    1993
_chemical_formula_sum            'B12 Ga2 O24 P2 Zn6'
_chemical_name_systematic        '(Zn6 Ga2) P2 (B O2)12'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.6139
_cell_length_b                   7.6139
_cell_length_c                   7.6139
_cell_volume                     441.389
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            boron0-1_530.cif
_cod_data_source_block           B12Ga2O24P2Zn6
_cod_database_code               4119076
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+1/2,z+1/2
z+1/2,x+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
z+1/2,-x+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
x+1/2,z+1/2,y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
z+1/2,y+1/2,x+1/2
-y+1/2,-z+1/2,x+1/2
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ga1 Ga+3 0.16732 0.16732 0.16732 0.25 0.0
B1 B+3 0.25 0.5 0 1 0.0
Zn1 Zn+2 0.16732 0.16732 0.16732 0.75 0.0
O1 O-2 0.14364 0.14364 0.4255 1 0.0
P1 P-3 0 0 0 1 0.0
