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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/14/9001494.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9001494
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            'Be2 Ca3 H10 O20 P4'
_chemical_name_mineral           Parafransoletite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.903
_cell_angle_beta                 96.820
_cell_angle_gamma                101.865
_cell_length_a                   7.3275
_cell_length_b                   7.6959
_cell_length_c                   7.0606
_cell_volume                     384.414
_exptl_crystal_density_diffrn    2.558
_[local]_cod_chemical_formula_sum_orig 'Ca3 Be2 P4 O20 H10'
_cod_database_code               9001494
_amcsd_database_code             AMCSD#0001531
loop_
_symmetry_equiv_pos_as_xyz
x,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 0.71030 0.39150 0.97720 0.01267
Ca2 0.00000 0.00000 0.00000 0.01545
Be 0.73340 0.41970 0.48620 0.00887
P1 0.04300 0.30200 0.68430 0.00950
P2 0.35630 0.30200 0.26750 0.00963
O1 0.98810 0.28910 0.88410 0.01520
O-h2 0.13350 0.13840 0.63530 0.01646
O3 0.19500 0.47330 0.69250 0.01267
O4 0.87790 0.28720 0.52860 0.01013
O5 0.41370 0.33070 0.07160 0.01520
O6 0.25920 0.45760 0.31700 0.01140
O7 0.21590 0.12340 0.26590 0.01520
O8 0.52520 0.30280 0.42020 0.01393
OW1 0.55210 0.12700 0.75200 0.01773
OW2 0.76030 0.12560 0.14730 0.01520
H 0.13300 0.12900 0.51800 0.04053
H1a 0.49600 0.14300 0.63200 0.04053
H1b 0.65600 0.09800 0.71300 0.04053
H2a 0.81700 0.18300 0.25300 0.04053
H2b 0.63500 0.06700 0.15400 0.04053