#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007927.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_9007927
loop_
_publ_author_name
'Kissick, J. L.'
'Keszler, D. A.'
_publ_section_title
;
 Rb2Al2B2O7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i85
_journal_page_last               i87
_journal_paper_doi               10.1107/S1600536802015659
_journal_volume                  58
_journal_year                    2002
_chemical_formula_structural     Rb2Al2B2O7
_chemical_formula_sum            'Al2 B2 O7 Rb2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.970
_cell_angle_gamma                90
_cell_length_a                   8.901
_cell_length_b                   7.5390
_cell_length_c                   11.905
_cell_formula_units_Z            4
_cell_volume                     775.252
_exptl_crystal_density_diffrn    3.072
_cod_original_formula_sum        'Rb2 Al2 B2 O7'
_cod_database_code               9007927
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Rb1 0.03371 0.14003 0.62650 0.02092
Rb2 0.45632 -0.13338 0.85435 0.02143
Al1 -0.34247 -0.12434 0.62207 0.01010
Al2 -0.18525 0.08342 0.86588 0.01130
B1 0.15520 0.08730 0.91140 0.01340
B2 0.31910 -0.11470 0.56340 0.01290
O1 -0.20270 0.18920 0.39530 0.01760
O2 -0.30840 0.01990 0.73700 0.01910
O3 0.00640 0.04070 0.86200 0.01800
O4 0.46310 -0.18940 0.58920 0.01950
O5 0.28280 0.03240 0.49620 0.02260
O6 0.23730 0.17900 0.84550 0.01670
O7 -0.22940 0.53810 0.47950 0.02490
_cod_duplicate_entry 2201637
