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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/9/9008314.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_9008314
_chemical_name 'Bergslagite'
loop_
_publ_author_name
'Hansen S'
'Falth L'
'Johnson O'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 166
_journal_year 1984
_journal_page_first 73
_journal_page_last 80
_publ_section_title
;
 Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions
 Note: anisoB's from ICSD
;
_chemical_formula_sum 'Ca Be As O5 H'
_cell_length_a 4.8818
_cell_length_b 7.809
_cell_length_c 10.127
_cell_angle_alpha 90
_cell_angle_beta 90.16
_cell_angle_gamma 90
_cell_volume 386.060
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
Ca   0.99850   0.11170   0.32840   0.00925
Be   0.55100   0.41470   0.33810   0.00785
As   0.47900   0.27511   0.07950   0.00519
O1   0.24000   0.41370   0.03100   0.01254
O2   0.67790   0.28970   0.45290   0.01229
O3   0.69060   0.34520   0.19920   0.01178
O4   0.31060   0.10440   0.14390   0.01254
O-H   0.22260   0.41270   0.33080   0.01191