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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538514.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_1538514
loop_
_publ_author_name
'Radoslovich, E.W.'
'Slade, P.G.'
_publ_section_title
;
 Pseudo-trigonal symmetry and the structure of Gorceixite
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              157
_journal_page_last               170
_journal_volume                  1980
_journal_year                    1980
_chemical_formula_sum            'Al3 Ba0.95 H7 O14 P2'
_chemical_name_systematic        'Ba.95 Al3 (P O4)2 (O H)5 (H2 O)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.0363
_cell_length_b                   7.0363
_cell_length_c                   17.28188
_cell_volume                     740.987
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Radoslovich_NJMMAW_1980_1986.cif
_cod_data_source_block           H7Al3Ba0.95O14P2
_cod_original_cell_volume        740.9866
_cod_original_formula_sum        'H7 Al3 Ba0.95 O14 P2'
_cod_database_code               1538514
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
O2 O-2 0 0 -0.388 1 0.0
P2 P+5 0 0 -0.3016 1 0.0
O4 O-2 -0.2149 0.2149 0.063 1 0.0
O1 O-2 0 0 0.3926 1 0.0
Al1 Al+3 0.4969 -0.4969 0.4983 1 0.0
Ba1 Ba+2 0 0 0 0.95 0.0
P1 P+5 0 0 0.2996 1 0.0
O3 O-2 0.2159 -0.2159 -0.061 1 0.0
O6 O-2 -0.1207 0.1207 -0.1389 1 0.0
O5 O-2 0.1321 -0.1321 0.1403 1 0.0
