#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009291.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_9009291
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_[local]_cod_cif_authors_sg_H-M  'R 3 m'
loop_
_publ_author_name
'Radoslovich E W'
'Slade P G'
_publ_section_title
;
 Pseudo-trigonal symmetry and the structure of gorceixite
 Locality: Glen Alice area, New South Wales, Australia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              157
_journal_page_last               170
_journal_volume                  1980
_journal_year                    1980
_chemical_formula_sum            'Al3 Ba0.95 H0.33 O14 P2 Sr0.01'
_[local]_cod_chemical_formula_sum_orig 'Ba.95 Sr.01 Al3 P2 O14 H.33'
_chemical_name_mineral           Gorceixite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.0363
_cell_length_b                   7.0363
_cell_length_c                   17.28188
_cell_volume                     740.987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba 0.00000 0.00000 0.00000 0.95000 0.00633
Sr 0.00000 0.00000 0.00000 0.01000 0.00633
Al 0.49690 -0.49690 0.49830 1.00000 0.00633
P1 0.00000 0.00000 0.29960 1.00000 0.00760
P2 0.00000 0.00000 -0.30160 1.00000 0.00633
O1 0.00000 0.00000 0.39260 1.00000 0.00887
O2 0.00000 0.00000 -0.38800 1.00000 0.00633
O21 0.21590 -0.21590 -0.06100 1.00000 0.01140
O22 -0.21490 0.21490 0.06300 1.00000 0.00760
O-H1 0.13210 -0.13210 0.14030 1.00000 0.00507
O-H2 -0.12070 0.12070 -0.13890 1.00000 0.00760