Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite
Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Acta Crystallographica Section C 48 (1992) 1357–1359; doi:10.1107/S0108270192003688

data_2000801
_publ_section_title
;
 Structure of a new natural tungstate arsenate,
 [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1357
_journal_page_last               1359
_journal_paper_doi               10.1107/S0108270192003688
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'As Ca2 O12 W2 Y'
_chemical_formula_weight         803.68
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.1350(10)
_cell_length_b                   5.1350(10)
_cell_length_c                   33.882(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      9.30
_cell_volume                     893.4(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'Variable scan speed'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            4281
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        0.8
_diffrn_standards_interval_count 150
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    37.6
_exptl_crystal_colour            'Creamy yellow'
_exptl_crystal_density_diffrn    5.975
_exptl_crystal_description       'Small bipyramids'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.25
_refine_diff_density_min         0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.104
_refine_ls_number_parameters     45
_refine_ls_number_reflns         840
_refine_ls_R_factor_obs          0.024
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.027
_reflns_number_observed          840
_reflns_number_total             1405
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            na1005.cif
_cod_data_source_block           na1005a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'As1 Ca2 O12 W2 Y1'
_cod_database_code               2000801