#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001493.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_9001493
_chemical_name 'Fransoletite'
loop_
_publ_author_name
'Kampf A R'
_journal_name_full "American Mineralogist"
_journal_volume 77
_journal_year 1992
_journal_page_first 848
_journal_page_last 856
_publ_section_title
;
 Beryllophosphate chains in the structures of fransoletite, parafransoletite, an
 ehrleite and some general comments on beryllophosphate linkages
;
_chemical_formula_sum 'Ca3 P4 Be2 O22 H12'
_cell_length_a 7.3482
_cell_length_b 15.0522
_cell_length_c 7.0685
_cell_angle_alpha 90
_cell_angle_beta 96.519
_cell_angle_gamma 90
_cell_volume 776.768
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Ca1   0.63650   0.19680   0.95080   0.00975
Ca2   0.00000   0.00000   0.00000   0.01570
P1   0.97410   0.15140   0.64700   0.00684
P2   0.29030   0.15200   0.23220   0.00583
Be   0.63280   0.21050   0.44810   0.00760
O1   0.92720   0.14300   0.85060   0.01140
O-H2   0.09930   0.06900   0.61140   0.01393
O3   0.09050   0.23590   0.63860   0.01267
O4   0.80280   0.14860   0.49590   0.00633
O5   0.34510   0.17110   0.03460   0.01267
O6   0.15610   0.22840   0.26520   0.01393
O7   0.18860   0.06350   0.24360   0.01267
O8   0.45580   0.14650   0.38500   0.01013
OW1   0.52340   0.06310   0.75150   0.01393
OW2   0.73900   0.06250   0.14450   0.01520
O-H   0.10800   0.06300   0.48400   0.04053
H1a   0.42500   0.08800   0.71000   0.04053
H1b   0.58100   0.02300   0.75600   0.04053
H2a   0.76100   0.08600   0.24400   0.04053
H2b   0.71800   0.99700   0.12100   0.04053