#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$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
loop_
_publ_author_name
'Kampf A R'
_publ_section_title
;
 Beryllophosphate chains in the structures of fransoletite, parafransoletite, and
 ehrleite and some general comments on beryllophosphate linkages
;
_journal_name_full               'American Mineralogist'
_journal_page_first              848
_journal_page_last               856
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Ca3 P4 Be2 O22 H12'
_chemical_name_mineral           Fransoletite
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.519
_cell_angle_gamma                90
_cell_length_a                   7.3482
_cell_length_b                   15.0522
_cell_length_c                   7.0685
_cell_volume                     776.768
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_U_iso_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