#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011072.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_1011072
_chemical_name_systematic          'Beryllium aluminium silicate hydroxide'
_chemical_name_mineral             'Euclase'
_chemical_formula_structural       'Be Al (Si O4) (O H)'
_chemical_formula_sum            'Al Be H O5 Si'
_[local]_cod_chemical_formula_sum_orig 'H Al Be O5 Si'
_publ_section_title                'The structure of Euclase H Be Al Si O5'
loop_
_publ_author_name
  'Biscoe, J'
  'Warren, B E'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    86
_journal_year                      1933
_journal_page_first                292
_journal_page_last                 297
_cell_length_a                     4.62
_cell_length_b                     14.24
_cell_length_c                     4.75
_cell_angle_alpha                  90
_cell_angle_beta                   79.73
_cell_angle_gamma                  90
_cell_volume                       307.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Be2+   2.000
  Al3+   3.000
  Si4+   4.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Be1   Be2+   4 e 0.5 -0.2 0.2 1.  0 d
  Al1   Al3+   4 e 0.03 -0.06 0.25 1.  0 d
  Si1   Si4+   4 e 0.47 0.1 0.15 1.  0 d
  O1    O2-    4 e 0.22 0.05 0.39 1.  0 d
  O2    O2-    4 e 0.26 -0.03 -0.17 1.  0 d
  O3    O2-    4 e 0.54 0.19 0.37 1.  0 d
  O4    O2-    4 e -0.28 -0.15 0.11 1.  0 d
  O5    O2-    4 e 0.22 -0.17 0.31 1.  0 d
  H1    H1+    4 e -1. -1. -1. 1.  0 dum