#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533303.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_1533303
loop_
_publ_author_name
'Zhang Haoyu'
'Chen Zhenxia'
'Weng Linhong'
'Zhou Yaming'
'Zhao Dongyuan'
_publ_section_title
;
 Hydrothermal synthesis of new berylloborophosphates M(I) Be B P O (M(I) =
 K(+), Na(+) and (N H4)(+)) with zeolite ANA framework topology
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              309
_journal_page_last               316
_journal_volume                  57
_journal_year                    2003
_chemical_formula_sum            'B Be H0.666 K O8.333 P2'
_chemical_name_systematic        'K (Be B P2 O8) (H2 O)0.333'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   12.427
_cell_length_b                   12.427
_cell_length_c                   12.427
_cell_volume                     1919.106
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            ZhangHaoyu_MIMMFJ_2003_496.cif
_cod_data_source_block           H0.666B1Be1K1O8.333P2
_cod_original_formula_sum        'H0.666 B1 Be1 K1 O8.333 P2'
_cod_database_code               1533303
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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
O9 O-2 0.1237 0.8763 0.3763 1 0.0
O7 O-2 0.3591 0.2497 0.1245 1 0.0
O3 O-2 0.9187 0.1221 0.1893 1 0.0
P1 P+5 0.4103 0.1444 0.1617 1 0.0
O1 O-2 0.7286 0.1265 0.1203 1 0.0
B1 B+3 0.8744 0.1405 0.8924 1 0.0
O8 O-2 0.8912 0.1253 0.0009 1 0.0
O6 O-2 0.4219 0.1437 0.2856 1 0.0
P2 P+5 0.8396 0.0882 0.1058 1 0.0
O5 O-2 0.8282 -0.0349 0.1039 1 0.0
K2 K+1 0.6498 0.1498 0.3502 1 0.0
K3 K+1 0.1251 0.1251 0.1251 1 0.0
O2 O-2 0.5205 0.1286 0.121 1 0.0
O4 O-2 0.3317 0.0625 0.129 1 0.0
Be1 Be+2 0.6241 0.1833 0.067 1 0.0
K1 K+1 0.6006 0.8994 0.1006 1 0.0
