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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008311.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_9008311
_chemical_name 'Jeremejevite'
loop_
_publ_author_name
'Rodellas C'
'Garcia-Blanco S'
'Vegas A'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 165
_journal_year 1983
_journal_page_first 255
_journal_page_last 260
_publ_section_title
;
 Crystal structure refinement of jeremejevite (Al6B5F3O15)
 Locality: Cape Cross, Namibia
;
_chemical_formula_sum 'Al6 B5 F3 O15'
_cell_length_a 8.556
_cell_length_b 8.556
_cell_length_c 8.175
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 518.275
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al   0.35261   0.01544   0.07532   0.00380
B1   0.23322   0.00232   0.75000   0.00480
B2   0.66667   0.33333  -0.05402   0.00470
F   0.50014   0.11314   0.25000   0.00560
O1   0.28512   0.19661   0.10135   0.00460
O2   0.56079   0.15000  -0.05455   0.00450
O3   0.30286   0.18636   0.75000   0.00500