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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521065.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_1521065
loop_
_publ_author_name
'Gier, T.E.'
'Bu Xianhui'
'Harrison, W.T.A.'
'Stucky, G.D.'
_publ_section_title
;
 Tetrahedral networks containing beryllium: syntheses and structures of
 Be3 (P O4)2 . 2(H2 O) and Be (H As O4) . (H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              394
_journal_page_last               398
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Be3 H4 O10 P2'
_chemical_name_systematic        'Be3 (P O4)2 (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.366
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.964
_cell_length_b                   4.5842
_cell_length_c                   9.532
_cell_volume                     695.548
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gier_JSSCBI_1999_274.cif
_cod_data_source_block           H4Be3O10P2
_cod_original_cell_volume        695.5481
_cod_original_formula_sum        'H4 Be3 O10 P2'
_cod_database_code               1521065
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 -0.0853 0.3399 0.9039 1 0.0
O3 O-2 0.16755 -0.0784 0.04505 1 0.0
Be1 Be+2 0 0.1924 0.75 1 0.0
O2 O-2 0.17532 0.3698 0.89376 1 0.0
Be2 Be+2 0.25148 0.5501 0.8425 1 0.0
O1 O-2 0.06622 -0.0139 0.83553 1 0.0
O5 O-2 0.95449 0.4218 0.8572 1 0.0
O4 O-2 0.21878 0.889 0.80262 1 0.0
H2 H+1 -0.0644 0.5824 0.8067 1 0.0
P1 P+5 0.15525 0.04667 0.89645 1 0.0
