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#$Date: 2015-10-10 00:02:51 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163290 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/58/1535816.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_1535816
loop_
_publ_author_name
'Ilyushin, G.D.'
_publ_section_title
;
 New data on the crystal structure of umbite K2 Zr Si3 O9 * H2 O
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              971
_journal_page_last               975
_journal_volume                  29
_journal_year                    1993
_chemical_formula_sum            'K2 O10 Si3 Zr0.86'
_chemical_name_systematic        'K2 (Zr0.86 Ti0.14) (Si3 O9) (H2 O)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.207
_cell_length_b                   13.241
_cell_length_c                   7.174
_cell_volume                     969.572
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Ilyushin_IVNMAW_1993_1350.cif
_cod_data_source_block           K2O10Si3Zr0.86
_cod_original_cell_volume        969.5724
_cod_database_code               1535816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
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
Si2 Si+4 0.1376 0.3331 0.918 1 0.0
O7 O-2 0.0999 0.3549 0.7001 1 0.0
Si1 Si+4 0.176 0.3277 0.5048 1 0.0
O3 O-2 0.2086 0.687 0.4339 1 0.0
O10 O-2 0.1814 0.0645 0.6278 1 0.0
Si3 Si+4 0.0328 0.4519 0.2304 1 0.0
Zr1 Zr+4 0.05 0.7097 0.26 0.86 0.0
O9 O-2 0.0949 0.4381 0.0184 1 0.0
K1 K+1 0.0727 0.578 0.7123 1 0.0
O8 O-2 0.1559 0.4265 0.3729 1 0.0
O6 O-2 0.0792 0.8662 0.2446 1 0.0
K2 K+1 0.2093 0.8653 0.6496 1 0.0
O1 O-2 0.1682 0.6884 0.0417 1 0.0
O5 O-2 0.0572 0.241 0.9996 1 0.0
O2 O-2 0.9857 0.5638 0.2694 1 0.0
O4 O-2 0.1132 0.2302 0.4086 1 0.0
