#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/16/2201637.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_2201637
loop_
_publ_author_name
'Judith L. Kissick'
'Douglas A. Keszler'
_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_iupac          'Rb2 Al2 B2 O7'
_chemical_formula_moiety         'Rb2 Al2 B2 O7'
_chemical_formula_structural     'Rb2 Al2 B2 O7'
_chemical_formula_sum            'Al2 B2 O7 Rb2'
_chemical_formula_weight         358.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.901(2)
_cell_length_b                   7.5390(10)
_cell_length_c                   11.905(2)
_cell_measurement_temperature    293(2)
_cell_volume                     775.3(2)
_database_code_amcsd             0010385
_exptl_crystal_density_diffrn    3.072
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201637
_amcsd_formula_title             Rb2Al2B2O7
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Rb1 0.03371(4) 0.14003(5) 0.62650(3) 0.02092(11) Uani d . 1 . . Rb
Rb2 0.45632(4) -0.13338(6) 0.85435(3) 0.02143(11) Uani d . 1 . . Rb
Al1 -0.34247(12) -0.12434(14) 0.62207(8) 0.0101(2) Uani d . 1 . . Al
Al2 -0.18525(12) 0.08342(14) 0.86588(8) 0.0113(2) Uani d . 1 . . Al
O1 -0.2027(3) 0.1892(3) 0.3953(2) 0.0176(5) Uani d . 1 . . O
O2 -0.3084(3) 0.0199(4) 0.7370(2) 0.0191(6) Uani d . 1 . . O
O3 0.0064(3) 0.0407(4) 0.8620(2) 0.0180(6) Uani d . 1 . . O
O4 0.4631(3) -0.1894(4) 0.5892(2) 0.0195(6) Uani d . 1 . . O
O5 0.2828(3) 0.0324(4) 0.4962(2) 0.0226(6) Uani d . 1 . . O
O6 0.2373(3) 0.1790(3) 0.8455(2) 0.0167(5) Uani d . 1 . . O
O7 -0.2294(3) 0.5381(4) 0.4795(2) 0.0249(7) Uani d . 1 . . O
B1 0.1552(5) 0.0873(5) 0.9114(3) 0.0134(8) Uani d . 1 . . B
B2 0.3191(5) -0.1147(5) 0.5634(3) 0.0129(7) Uani d . 1 . . B
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rb1 O6 . 2.808(2) yes
Rb1 O1 3_556 2.946(3) yes
Rb1 O3 . 2.968(3) yes
Rb1 O3 2_556 3.048(3) yes
Rb1 O1 . 3.056(3) yes
Rb1 O5 . 3.105(3) yes
Rb1 O5 3_556 3.126(3) yes
Rb1 B1 . 3.326(4) no
Rb1 O7 3_566 3.403(3) yes
Rb1 B2 3_556 3.403(4) no
Rb1 B2 . 3.410(4) no
Rb1 Al2 2_556 3.5976(12) no
Rb2 O7 4_666 2.924(3) yes
Rb2 O2 2_546 3.009(3) yes
Rb2 O2 1_655 3.014(3) yes
Rb2 O6 . 3.043(3) yes
Rb2 O4 4_556 3.086(3) yes
Rb2 O4 . 3.200(3) yes
Rb2 O1 3_556 3.297(3) yes
Rb2 B1 . 3.361(4) no
Rb2 B2 . 3.387(4) no
Rb2 O7 2_546 3.405(3) yes
Rb2 O4 2_656 3.455(3) yes
Rb2 Al2 1_655 3.5577(13) no
Al1 O2 . 1.716(3) yes
Al1 O6 2_546 1.746(3) yes
Al1 O4 1_455 1.749(3) yes
Al1 O5 3_556 1.762(3) yes
Al2 O2 . 1.725(3) yes
Al2 O3 . 1.747(3) yes
Al2 O7 4_566 1.755(3) yes
Al2 O1 4_566 1.764(3) yes
O3 B1 . 1.360(5) yes
O6 B1 . 1.380(5) yes
O7 B1 2_556 1.359(5) yes
O1 B2 3_556 1.370(5) yes
O4 B2 . 1.366(5) yes
O5 B2 . 1.360(5) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010385
