data_2013632
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  i100
_journal_page_last  i102
_publ_section_title
;
Cs[Si~3~O~8~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates
;
loop_
_publ_author_name
  'Bull, Ivor'
  'Parise, John B.'
_chemical_formula_moiety  'H1 O5 Rb1 Si2'
_chemical_formula_sum  'H O5 Rb Si2'
_chemical_formula_iupac  'Rb [Si2 O4 (O H)]'
_chemical_formula_weight  222.66
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P c m n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y+1/2, z+1/2'
  'x+1/2, -y, -z+1/2'
  '-x, y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y-1/2, -z-1/2'
  '-x-1/2, y, z-1/2'
  'x, -y-1/2, z'
_cell_length_a  4.8147(13)
_cell_length_b  8.267(2)
_cell_length_c  12.814(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  510.0(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.9
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 0.53159(9) 0.75 0.46487(4) 0.0253(2) Uani d S 1 . . Rb
  Si1 0.50817(14) 0.56212(10) 0.18906(7) 0.0113(2) Uani d . 1 . . Si
  O1 0.2322(4) 0.4563(3) 0.21655(16) 0.0164(5) Uani d . 1 . . O
  O2 0.6363(4) 0.5071(3) 0.08027(18) 0.0216(5) Uani d . 1 . . O
  O3 0.4072(7) 0.75 0.1898(3) 0.0233(7) Uani d S 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Rb1 0.0288(3) 0.0205(3) 0.0265(3) 0 -0.00795(17) 0
  Si1 0.0099(4) 0.0122(4) 0.0118(5) -0.0004(2) -0.0002(3) 0.0001(3)
  O1 0.0145(10) 0.0183(10) 0.0164(12) -0.0040(7) 0.0024(8) -0.0024(8)
  O2 0.0179(10) 0.0337(13) 0.0131(12) 0.0006(9) 0.0033(9) -0.0031(9)
  O3 0.0206(15) 0.0139(15) 0.036(2) 0 -0.0096(14) 0
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 O2 3_465 2.911(2) ?
  Rb1 O2 6_566 2.911(2) ?
  Rb1 O2 2_665 2.962(2) ?
  Rb1 O2 7_756 2.962(2) ?
  Rb1 O1 3_565 3.041(2) ?
  Rb1 O1 6_666 3.041(2) ?
  Rb1 O3 2_565 3.573(3) ?
  Rb1 O3 . 3.576(4) ?
  Rb1 Si1 . 3.8622(12) ?
  Rb1 Si1 8_575 3.8622(12) ?
  Rb1 Si1 2_665 3.9465(11) ?
  Rb1 Si1 7_756 3.9465(11) ?
  Si1 O2 . 1.591(2) ?
  Si1 O3 . 1.6275(13) ?
  Si1 O1 3_565 1.628(2) ?
  Si1 O1 . 1.629(2) ?
  Si1 Rb1 2_664 3.9465(11) ?
  Si1 Rb1 6_556 3.9766(10) ?
  Si1 Rb1 6_656 4.1109(10) ?
  O1 Si1 3_465 1.628(2) ?
  O1 Rb1 6_556 3.041(2) ?
  O2 Rb1 6_656 2.911(2) ?
  O2 Rb1 2_664 2.962(2) ?
  O3 Si1 8_575 1.6275(13) ?
  O3 Rb1 2_564 3.573(3) ?