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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009259.cif $
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#
# 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_9009259
_chemical_name 'Berborite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
'Larsen A O'
'Asheim A'
'Raade G'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Abhandlungen"
_journal_volume 162
_journal_year 1990
_journal_page_first 101
_journal_page_last 116
_publ_section_title
;
 Berborite polytypes
 Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway
 Sample: 1T polytype
 Note: anisoU's from ICSD
;
_chemical_formula_sum 'Be2 B O5 H3'
_cell_length_a 4.434
_cell_length_b 4.434
_cell_length_c 5.334
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 90.819
_symmetry_space_group_name_H-M 'P 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
BeA   0.66667   0.33333   0.60850   1.00000   0.00836
BeB   0.33333  -0.33333   0.40300   1.00000   0.00836
B   0.00000   0.00000   0.50000   1.00000   0.00735
O1   0.30890  -0.00010   0.50000   1.00000   0.00937
O2A   0.66667   0.33333   0.90890   1.00000   0.01874
O2B   0.33333   0.66667   0.09240   1.00000   0.02039
HA  -0.43800   0.42700   0.98300   0.33333   0.04433
HB   0.45900  -0.44400   0.02000   0.66667   0.04433