#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103591.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_8103591
loop_
_publ_author_name
'Schultz, E.'
'Liebau, F.'
_publ_section_title
;
 Crystal structure of beryllium phosphate Be P2 O6 III - a derivate of
 silica K (Keatite)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              115
_journal_page_last               126
_journal_volume                  154
_journal_year                    1981
_chemical_formula_sum            'Be O6 P2'
_chemical_name_systematic        'Be (P O3)2'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.968
_cell_length_b                   10.08
_cell_length_c                   8.692
_cell_volume                     873.350
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schultz_ZEKRDZ_1981_321.cif
_cod_data_source_block           Be1O6P2
_cod_original_cell_volume        873.35
_cod_original_formula_sum        'Be1 O6 P2'
_cod_database_code               8103591
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
O1 O-2 0.3065 0.166 0.3602 1 0.0
O4 O-2 0.1775 0.2176 0.1217 1 0.0
P1 P+5 0.2274 0.1181 0.2269 1 0.0
P3 P+5 0 0.0693 0.75 1 0.0
O2 O-2 0.1155 0.0291 0.3003 1 0.0
O3 O-2 0.3084 0.0064 0.135 1 0.0
O6 O-2 0.0313 0.1411 0.8936 1 0.0
O5 O-2 0.4836 0.1256 0.9769 1 0.0
Be1 Be+2 0.0968 0.2728 0.9798 1 0.0
P2 P+5 0.4095 0 0 1 0.0
