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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530624.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_1530624
loop_
_publ_author_name
'Pushcharovskii, D.Yu.'
'Dago, A.M.'
'Pobedimskaya, E.A.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of K8 Yb3 (Si6 O16)2 (O H) polymorphism of the
 radicals (Si3 O8)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1111
_journal_page_last               1115
_journal_volume                  258
_journal_year                    1981
_chemical_formula_sum            'H K8 O33 Si12 Yb3'
_chemical_name_systematic        'K8 Yb3 (Si6 O16)2 (O H)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.52
_cell_angle_beta                 90.91
_cell_angle_gamma                100.1
_cell_formula_units_Z            1
_cell_length_a                   6.808
_cell_length_b                   11.434
_cell_length_c                   11.449
_cell_volume                     877.059
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pushcharovskii_DANKAS_1981_1539.cif
_cod_data_source_block           H1K8O33Si12Yb3
_cod_original_cell_volume        877.0587
_cod_original_formula_sum        'H1 K8 O33 Si12 Yb3'
_cod_database_code               1530624
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O7 O-2 0.958 0.509 0.222 1 0.0
Si6 Si+4 0.943 0.7331 0.0091 1 0.0
O16 O-2 0.73 0.666 0.038 1 0.0
O15 O-2 0.972 0.876 0.009 0.5 0.0
Yb1 Yb+3 0.5 0.5 0 1 0.0
K3 K+1 0.664 0.6749 0.2763 1 0.0
Si4 Si+4 0.186 0.8052 0.3499 1 0.0
K4 K+1 0.76 0.896 0.49 0.5 0.0
K2 K+1 0.338 0.3002 0.2637 1 0.0
O2 O-2 0.582 0.095 0.353 1 0.0
O11 O-2 0.006 0.853 0.287 1 0.0
O17 O-2 0.583 0.481 0.434 1 0.0
Si1 Si+4 0.808 0.1753 0.3713 1 0.0
O8 O-2 0.347 0.54 0.16 1 0.0
Si3 Si+4 0.162 0.5974 0.195 1 0.0
O14 O-2 0.669 0.986 0.164 1 0.0
Si2 Si+4 0.942 0.3729 0.1854 1 0.0
K5 K+1 0 0.5 0.5 1 0.0
K1 K+1 0.473 0.8332 0.0047 1 0.0
Si5 Si+4 0.494 0.9943 0.2486 1 0.0
O1 O-2 -0.018 0.118 0.319 1 0.0
O9 O-2 0.203 0.666 0.32 1 0.0
O3 O-2 0.844 0.196 0.512 1 0.0
O4 O-2 0.795 0.307 0.313 1 0.0
O13 O-2 0.317 0.058 0.182 1 0.0
O5 O-2 0.997 0.302 0.12 1 0.0
O10 O-2 0.114 0.695 0.095 1 0.0
O6 O-2 0.644 0.378 0.114 1 0.0
O12 O-2 0.408 0.881 0.319 1 0.0
Yb2 Yb+3 -0.0055 0.0053 0.1624 1 0.0
