#------------------------------------------------------------------------------
#$Date: 2016-12-24 00:53:58 +0200 (Sat, 24 Dec 2016) $
#$Revision: 189372 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/48/1544860.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_1544860
loop_
_publ_author_name
'Matsubara, S.'
'Miyawaki, R.'
'Yokoyama, K.'
'Shigeoka, M.'
'Momma, K.'
'Yamamoto, S.'
_publ_section_title
;
 Magnesiorowlandite-(Y), Y4(Mg,Fe)(Si2O7)2F2, a new mineral in a pegmatite
 at Souri Valley, Komono, Mie Prefecture, central Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              109
_journal_page_last               117
_journal_volume                  109
_journal_year                    2014
_chemical_formula_sum
'Ce0.14 Dy0.22 Er0.07 F2.03 Fe0.35 Gd0.21 Mg0.58 Nd0.24 O13.97 Si4 Sm0.14 Y2.71 Yb0.09'
_chemical_name_common            Y4(Mg,Fe)(Si2O7)2F2
_chemical_name_mineral           magnesiorowlandite-(Y)
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.09(8)
_cell_angle_beta                 104.14(7)
_cell_angle_gamma                91.48(8)
_cell_formula_units_Z            1
_cell_length_a                   6.527(6)
_cell_length_b                   8.656(9)
_cell_length_c                   5.519(5)
_cell_volume                     297.9(5)
_cod_data_source_file            magnesiorowlandite-Y.cif
_cod_data_source_block           magnesiorowlandite-Y
_cod_original_formula_sum
'Y2.71 Nd0.24 Dy0.22 Gd0.21 Ce0.14 Sm0.14 Yb0.09 Er0.07 Mg0.58 Fe0.35 Si4 O13.97 F2.03'
_cod_database_code               1544860
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Y1 0.5680 0.08250(11) 0.85604(7) 0.75686(14) Uiso 0.019247 Y
Y1 0.4320 0.08250(11) 0.85604(7) 0.75686(14) Uiso 0.019247 Yb
Y2 0.7320 0.33866(11) 0.62203(8) 0.29969(16) Uiso 0.017000 Y
Y2 0.2680 0.33866(11) 0.62203(8) 0.29969(16) Uiso 0.017000 Yb
MgFe 0.6000 0.500000 0.000000 0.500000 Uiso 0.013227 Mg
MgFe 0.4000 0.500000 0.000000 0.500000 Uiso 0.013227 Fe
Si1 1.0 0.5986(4) 0.8011(4) 0.9548(7) Uiso 0.012647 Si
Si2 1.0 0.8228(4) 0.5599(4) 0.2460(5) Uiso 0.012592 Si
O1 1.0 0.6624(13) 0.6186(8) 0.9889(15) Uiso 0.015188 O
O2 1.0 0.4360(13) 0.8040(8) 0.6768(15) Uiso 0.014726 O
O3 1.0 0.8185(13) 0.9021(9) 0.9930(16) Uiso 0.017530 O
O4 1.0 0.4591(13) 0.8436(9) 0.1632(16) Uiso 0.018361 O
O5 1.0 0.0237(11) 0.6792(8) 0.3744(15) Uiso 0.014712 O
O6 1.0 0.8700(11) 0.3899(8) 0.1134(14) Uiso 0.014153 O
O7 1.0 0.6759(11) 0.5563(8) 0.4441(14) Uiso 0.014005 O
F 1.0 0.8138(10) 0.9856(8) 0.5287(14) Uiso 0.021549 F
