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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530626.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_1530626
loop_
_publ_author_name
'Pyatenko, Yu.A.'
'Voronkov, A.A.'
'Zhdanova, T.A.'
_publ_section_title
;
 About the crystal structure of K4 Sc2 (O H)2 (Si4 O12)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              868
_journal_page_last               871
_journal_volume                  248
_journal_year                    1979
_chemical_formula_sum            'H K2 O7 Sc Si2'
_chemical_name_systematic        'K2 Sc (Si2 O6) (O H)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.725
_cell_length_b                   12.741
_cell_length_c                   8.441
_cell_volume                     1368.533
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pyatenko_DANKAS_1979_1072.cif
_cod_data_source_block           H1K2O7Sc1Si2
_cod_original_formula_sum        'H1 K2 O7 Sc1 Si2'
_cod_database_code               1530626
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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 0.178 0.103 0.28 1 0.0
O8 O-2 0.103 0.321 0.284 1 0.0
O2 O-2 0 0.5 0.244 1 0.0
O9 O-2 0.322 0.397 0.218 1 0.0
O3 O-2 0.111 0.039 0 1 0.0
O10 O-2 0.397 0.175 0.223 1 0.0
K1 K+1 0.976 0.211 0 1 0.0
O6 O-2 0.277 0.267 0.5 1 0.0
Si2 Si+4 0.995 0.379 0.309 1 0.0
O1 O-2 0 0 0.256 1 0.0
Si1 Si+4 0.122 0.005 0.191 1 0.0
O4 O-2 0.962 0.388 0.5 1 0.0
K4 K+1 0.287 0.976 0.5 1 0.0
K3 K+1 0.345 0.976 0 1 0.0
Sc1 Sc+3 0.251 0.249 0.249 1 0.0
K2 K+1 0.026 0.156 0.5 1 0.0
O5 O-2 0.224 0.23 0 1 0.0
