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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/2/2000170.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_2000170
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2279
_journal_page_last  2282
loop_
_publ_author_name
 'Powell, D.R.'
 'Gaines, D.F.'
 'Zerella, P.J.'
 'Smith, R.A.'
_chemical_formula_moiety  'Na2,H4 B4 O9,2.70(H2 O1)'
_chemical_formula_sum  'B4 H9.4 Na2 O11.7'
_chemical_formula_weight  285.9
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'R 3 2 {hexagonal axes}'
_symmetry_space_group_name_Hall  'R 3 2"'
_cell_length_a  11.097(2)
_cell_length_b  11.097(2)
_cell_length_c  21.114(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120.
_cell_volume  2251.7(7)
_cell_formula_units_Z  9
_exptl_crystal_density_diffrn  1.898
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1305.1
_exptl_absorpt_coefficient_mu  2.360
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Na(1) 1.0000 .32990(10)  .5000 .0221(5)
 Na(2) 1.0000 1.0000 .5000 .0149(5)
 Na(3) .0000 .0000 .09230(10)    .0286(5)
 B(1) .9084(3) .7331(3) .61810(10)   .0167(10)
 B(2) .9095(3) .5133(3) .62060(10)   .0268(11)
 O(1) .8013(2) .66667 .66667 .0136(7)
 O(2) .9254(2) .6237(2) .58490(10)   .0240(7)
 O(3) .8806(2) .5033(2) .68370(10)   .0203(6)
 OH(4) .8722(2) .8052(2) .57190(10)    .0164(6)
 OH(5) .9282(3) .4143(2) .59100(10)    .0516(10)
 Ow(1) -.2236(2) -.0902(2) .13440(10)   .0318(7)
 Ow(2) .1553(5) .0448(6) -.0041(3) .0409(18)
 H(4) .8534 .8517 .5927 .020(3)
 H(5) .9192 .3507 .6159 .108(3)
 Hw(1A) -.2417 -.0547 .1805 .128(3)
 Hw(1B) -.2883 -.0849 .1056 .104(3)
 Hw(2A) .2032 -.0098 -.0172 .074(3)
 Hw(2B) .2417 .1369 -.0304 .068(3)