#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017246.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9017246
loop_
_publ_author_name
'Kampf, A. R.'
'Housley, R. M.'
_publ_section_title
;
 Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic
 ejecta from the Agua de Pau volcano, Azores
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              91
_journal_page_last               97
_journal_volume                  27
_journal_year                    2015
_chemical_compound_source
'Agua de Pau volcano, San Miguel Island, Azores District, Portugal'
_chemical_formula_sum
'Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06'
_chemical_name_mineral           Chiappinoite-(Y)
_space_group_IT_number           72
_space_group_name_Hall           '-I 2 2c'
_space_group_name_H-M_alt        'I b a m'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.5549
_cell_length_b                   15.2342
_cell_length_c                   19.6418
_cell_formula_units_Z            4
_cell_volume                     2260.631
_database_code_amcsd             0020339
_exptl_crystal_density_diffrn    3.074
_cod_data_source_file            inputs/fixed/downloads/08/08615.cif
_cod_data_source_block           08615
_cod_original_formula_sum
'Y1.17 Ce.18 Dy.1 Na.1 Nd.09 Er.08 La.07 Gd.07 Yb.06 Sm.03 Pr.02 Mn.61 Ca.25 Fe.09 Si12 O28'
_cod_database_code               9017246
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y 0.00000 0.22900 0.25000 0.58500 0.00779
Ce 0.00000 0.22900 0.25000 0.09000 0.00779
Dy 0.00000 0.22900 0.25000 0.05000 0.00779
Na 0.00000 0.22900 0.25000 0.05000 0.00779
Nd 0.00000 0.22900 0.25000 0.04500 0.00779
Er 0.00000 0.22900 0.25000 0.04000 0.00779
La 0.00000 0.22900 0.25000 0.03500 0.00779
Gd 0.00000 0.22900 0.25000 0.03500 0.00779
Yb 0.00000 0.22900 0.25000 0.03000 0.00779
Sm 0.00000 0.22900 0.25000 0.01500 0.00779
Pr 0.00000 0.22900 0.25000 0.01000 0.00779
Mn 0.00000 0.00000 0.25000 0.61000 0.01190
Ca 0.00000 0.00000 0.25000 0.25000 0.01190
Fe 0.00000 0.00000 0.25000 0.09000 0.01190
Si1 0.25889 0.07589 0.35271 1.00000 0.00901
Si2 0.14882 0.37659 0.35242 1.00000 0.00910
Si3 0.17597 0.13038 0.50000 1.00000 0.01060
Si4 0.26475 0.33083 0.50000 1.00000 0.00980
O1 0.09100 0.10917 0.31185 1.00000 0.01420
O2 0.23510 0.29947 0.30893 1.00000 0.01260
O3 0.43720 0.13088 0.33201 1.00000 0.01330
O4 0.21590 0.47368 0.33012 1.00000 0.01410
O5 0.24010 0.07713 0.43434 1.00000 0.01730
O6 0.16540 0.36742 0.43380 1.00000 0.01890
O7 0.26410 0.22602 0.50000 1.00000 0.02860
O8 0.46520 0.36300 0.50000 1.00000 0.03240
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020339
