#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/60/1536017.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_1536017
loop_
_publ_author_name
'Vidican, I.'
'zur Loye, H.C.'
'Smith, M.D.'
_publ_section_title
;
 Crystal growth, structure determination and optical properties of new
 potassium-rare-earth silicates K3 RE Si2 O7 (RE = Gd, Tb, Dy, Ho, Er, Tm,
 Yb, Lu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              203
_journal_page_last               210
_journal_volume                  170
_journal_year                    2003
_chemical_formula_sum            'Er K3 O7 Si2'
_chemical_name_systematic        'K3 Er (Si2 O7)'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.8212
_cell_length_b                   9.8212
_cell_length_c                   14.2986
_cell_volume                     1194.410
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vidican_JSSCBI_2003_667.cif
_cod_data_source_block           Er1K3O7Si2
_cod_original_cell_volume        1194.41
_cod_original_formula_sum        'Er1 K3 O7 Si2'
_cod_database_code               1536017
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-y,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
Er2 Er+3 0 0 0.25 1 0.0
Er1 Er+3 0.3333 0.6667 0 1 0.0
K1 K+1 0.33163 0 0.09204 1 0.0
K3 K+1 0 0 0 1 0.0
O3 O-2 0.5919 0 0.25 1 0.0
Si1 Si+4 0.65741 0 0.14286 1 0.0
O2 O-2 0.8229 0 0.1475 1 0.0
K2 K+1 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.67832 0.5227 0.90816 1 0.0
